Compound: acetanilide
SMILES: O=C(Nc1ccccc1)C
InChIKey: FZERHIULMFGESH-UHFFFAOYSA-N
Synonyms: acetanilide, N-Phenylacetamide, 103-84-4, Antifebrin, Acetamidobenzene, N-Acetylaniline, Acetanilid, Acetanil, Acetylaniline, Phenalgene, Acetamide, N-phenyl-, Acetylaminobenzene, Acetic acid anilide, Acetoanilide, Phenalgin, Aniline, N-acetyl-, USAF EK-3, Benzenamine, N-acetyl-, Acetanilidum, Antifebrinum, NSC-7636, SP86R356CC, NSC-203231, CHEBI:28884, RefChem:6369, 203-150-7, 695-031-5, N-acetylarylamine, NSC 7636, AN [Analgesic], N-Acetylaminobenzene, MFCD00008674, Ethananilide, Acetanilide (Antifebrin), N-Phenyl-acetamide, Acetanilide (Acetylaniline), DTXSID2022543, NSC7636, N-Phenylacetamide;N-Phenylacetamide, NCGC00091326-01, Acetanilide-4'-D1, DTXCID602543, N-Phenylacetamide (Acetanilide), Caswell No. 003E, Acetamide, N-(phenyl-13C6)-, N-phenylethanamide, Acetanilide [NF], CAS-103-84-4, SMR001306799, Acetic acid amide, N-phenyl-, CCRIS 4452, HSDB 2665, EINECS 203-150-7, UNII-SP86R356CC, AI3-01045, PhNHAc, N-phenyl acetamide, Acetanilide, 99%, N-Acetyl-benzenamine, Acetanilide M.P. RS, Spectrum_000178, AZOBENZENE_met003, ACETANILIDE [MI], Spectrum2_001434, Spectrum3_000935, Spectrum4_001034, Spectrum5_000989, ACETANILIDE [HSDB], WLN: 1VMR, ACETANILIDE [VANDF], ACETANILIDUM [HPUS], Acetaminophen EP impurity D, ACETANILIDE [MART.], SCHEMBL19602, SCHEMBL24681, SCHEMBL50031, SCHEMBL96556, SCHEMBL97108, ACETANILIDE [USP-RS], ACETANILIDE [WHO-DD], KBioGR_001587, KBioSS_000658, MLS002207284, MLS002415707, orb134314, DivK1c_000073, SCHEMBL834716, SPECTRUM1501173, SPBio_001568, CHEMBL269644, orb2893746, SCHEMBL4628395, SCHEMBL4628415, SCHEMBL5158336, Acetanilide, LR, >=98.5%, HMS500D15, KBio1_000073, KBio2_000658, KBio2_003226, KBio2_005794, KBio3_001970, NINDS_000073, ACETANILIDE (RING-13C6), ACETIC ACID,AMIDE,N-PHENYL, HMS1921N07, HMS2092J11, HMS2234E18, HMS3374L04, HMS3651D07, Pharmakon1600-01501173, Tox21_111113, Tox21_200925, CCG-38984, EBC-00534, MSK001759, NSC757879, s2538, SBB040833, STK046402, AKOS000121114, Tox21_111113_1, FA17107, MSK001759-100A, NSC-757879, Acetanilide, NIST(R) SRM(R) 141d, IDI1_000073, ACETANILIDE MELTING POINT STANDARD, MSK001759-1000A, NCGC00091326-02, NCGC00091326-03, NCGC00091326-04, NCGC00091326-06, NCGC00258479-01, AS-13389, ST040202, SBI-0051673.P002, A3272, CS-0010112, NS00003596, PARACETAMOL IMPURITY D [EP IMPURITY], SW220057-1, EN300-26568, Acetanilide Solution in Acetonitrile, 100ug/mL, C07565, D72485, AB00052235_07, AB00052235_08, Acetanilide Solution in Acetonitrile, 1000ug/mL, Acetanilide, purified by sublimation, >=99.9%, Acetanilide, puriss. p.a., >=99.5% (CHN), AH-034/32461060, F236729, Q421761, SR-05000001777, SR-05000001777-1, BRD-K11094367-001-04-4, BRD-K11094367-001-09-3, BRD-K11094367-001-10-1, Z27782600, F0808-0907, Paracetamol EP Impurity D; Acetaminophen Related Compound D, Acetanilide, zone-refined, purified by sublimation, >=99.95%, Acetanilide Melting Point Standard, United States Pharmacopeia (USP) Reference Standard, InChI=1/C8H9NO/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10, 137020-73-6, Acetanilide melting point standard, Pharmaceutical Secondary Standard; Certified Reference Material
Theoretical properties:
molecular_formula: C8H9NO
molecular_weight: 135.16 g/mol
exact_mass: 135.068413911 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 1
heavy_atom_count: 10
topological_polar_surface_area: 29.1 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: ORTHORHOMBIC PLATES OR SCALES FROM WATER
color: ORTHORHOMBIC PLATES OR SCALES FROM WATER
odor: ODORLESS
boiling_point: 579 °F at 760 mmHg (NTP, 1992)
melting_point: 237.7 °F (NTP, 1992)
density: 1.219 at 59 °F (NTP, 1992) - Denser than water; will sink
solubility: less than 1 mg/mL at 72 °F (NTP, 1992)
flash_point: 345 °F (NTP, 1992)
vapor_pressure: 1 mmHg at 237 °F (NTP, 1992)
Descriptions:
pubchem: N-phenylacetamide is a member of the class of acetamides that is acetamide in which one of the hydrogens attached to the nitrogen is substituted by a phenyl group. It has a role as an analgesic. It is an anilide and a member of acetamides. It is functionally related to an acetic acid.
chebi: A member of the class of acetamides that is acetamide in which one of the hydrogens attached to the nitrogen is substituted by a phenyl group.
chembl: ACETANILIDE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Acetanilide is the organic compound with the formula C6H5NHC(O)CH3.  It is the N-acetylated derivative of aniline. It is an odourless solid chemical of leaf or flake-like appearance.  It is also known as N-phenylacetamide, acetanil, or acetanilid, and was formerly known by the trade name Antifebrin from Merck & Co. and Antikamnia from the Antikamnia Chemical Company.