Molecule ID: 96338

IUPAC Name: 2-chloro-N-(2,6-diethylphenyl)acetamide

Description: The molecule is an aromatic amide obtained by formal condensation of the carboxy group of chloroacetic acid with the amnio group of 2,6-diethylaniline. It has a role as a bacterial xenobiotic metabolite, a human xenobiotic metabolite, a rat metabolite, a fungal xenobiotic metabolite, a genotoxin and a carcinogenic agent. It is an organochlorine compound and an aromatic amide. It derives from a chloroacetic acid.

SMILES: CCc1cccc(CC)c1N=C(O)CCl

SELFIES: [C][C][C][=C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2][N][=C][Branch1][C][O][C][Cl]

InChI: InChI=1S/C12H16ClNO/c1-3-9-6-5-7-10(4-2)12(9)14-11(15)8-13/h5-7H,3-4,8H2,1-2H3,(H,14,15)

Molecular Properties:
- Polar Surface Area: 29.1 Ų
- LogP: 2.5