Compound: 4-Acetamidobenzoic acid
SMILES: O=C(O)c1ccc(NC(=O)C)cc1
InChIKey: QCXJEYYXVJIFCE-UHFFFAOYSA-N
Synonyms: 4-Acetamidobenzoic acid, 556-08-1, Acedoben, p-Acetamidobenzoic acid, 4-(Acetylamino)benzoic acid, 4-Acetylaminobenzoic acid, 4-Carboxyacetanilide, Benzoic acid, 4-(acetylamino)-, p-Acetoaminobenzoic acid, p-Acetylaminobenzoic acid, N-Acetyl-p-aminobenzoic acid, PAAB, Acedobene, p-Acetaminobenzoic acid, N-Acetyl-PABA, Para Acetamido Benzoic Acid, Acedobenum, Benzoic acid, p-acetamido-, NSC-4002, DTXSID5024392, 04Z20NMK31, para-acetamidobenzoic acid, DTXCID504392, CHEBI:46171, PAcBA, RefChem:551460, acetyl-p-aminobenzoic acid, 209-114-7, p-Acetylamino benzoic acid, 4'-Carboxyacetanilide, Acedoben [INN], Acedoben-d4, MFCD00002534, NSC 4002, p-AcetaMinobenzoic A, NCGC00090820-01, Acedoben [INN-Spanish], Acedobene [INN-French], Acedobenum [INN-Latin], F9995-0288, 4-Acetamidobenzoicacid, 4-Acetamidobenzoic acid;N-Acetyl-PABA;4'-Carboxyacetanilide, CAS-556-08-1, 4-acetamido benzoic acid, EINECS 209-114-7, p-(acetylamino)benzoic acid, UNII-04Z20NMK31, AI3-16506, p-Carboxyacetanilide, 4-'Carboxyacetanilide, 4-acetamido-benzoic acid, ACEDOBEN [MART.], 4-Acetylamino-benzoic acid, ACEDOBEN [WHO-DD], Benzoic acid, 4-acetamido-, NCIOpen2_002351, NCIOpen2_002391, NCIOpen2_002646, NCIOpen2_002848, NCIOpen2_007737, NCIOpen2_007777, Oprea1_415903, SCHEMBL24320, 4-(acetylamino)-benzoic acid, MLS002415768, 4-Acetamidobenzoic acid (4), 4-Acetamidobenzoic acid, 98%, CHEMBL112687, orb1310730, orb3139246, p-Acetaminophenylcarboxylic acid, MSK2769, NSC4002, BDBM239165, HMS1715D16, HMS2269G12, HMS3264F12, Pharmakon1600-01502412, SMSSF-0403153, HY-B1250, Para-acetamidobenzoic acid (PAcBA), STR03473, UWC78668, Tox21_111029, Tox21_200330, AC1876, EBC-03550, MSK2769-100M, NSC760374, SBB037858, STL137727, N-(4-Carboxyphenyl)acetic acid amide, AKOS000104745, MSK2769-1000M, Tox21_111029_1, CCG-213838, DB04500, FA00388, NSC-760374, NCGC00090820-02, NCGC00090820-03, NCGC00257884-01, SMR000112099, ST079293, SY028998, A0013, CS-0013043, NS00009420, EN300-17813, 8N-772, AB00375897_07, F238974, SR-01000868873, Q2823222, SR-01000868873-2, BRD-K47195926-001-06-6, Z57042001, 4-Acetamidobenzoic acid Solution in Methanol, 1000ug/mL, 4-Acetamidobenzoic acid Solution in Methanol, 100ug/mL, InChI=1/C9H9NO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13
Theoretical properties:
molecular_formula: C9H9NO3
molecular_weight: 179.17 g/mol
exact_mass: 179.058243149 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 2
heavy_atom_count: 13
topological_polar_surface_area: 66.4 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 493.7 °F (NTP, 1992)
solubility: less than 1 mg/mL at 70 °F (NTP, 1992)
vapor_pressure: 0.00000071 [mmHg]
Descriptions:
pubchem: 4-acetamidobenzoic acid is a amidobenzoic acid that consists of benzoic acid bearing an acetamido substituent at position 4. It is functionally related to a 4-aminobenzoic acid. It is a conjugate acid of a 4-acetamidobenzoate.
chebi: A amidobenzoic acid that consists of benzoic acid bearing an acetamido substituent at position 4.
chembl: ACEDOBEN is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Acedoben (4-acetamidobenzoic acid or N-acetyl-PABA) is a chemical compound with the molecular formula of C9H9NO3.  It is the acetyl derivative of para-aminobenzoic acid (PABA).
Acedoben, as a salt with dimepranol, is a component of some pharmaceutical preparations such as inosine pranobex.

Acedoben has application in the synthesis of a drug that is called Tacedinaline.