Molecule ID: 3015486

IUPAC Name: 3,5-dichloro-N-(2-methyl-3-oxobutan-2-yl)benzamide

Description: The molecule is a methyl ketone resulting from the formal hydration of the ethynyl group of the herbicide propyzamide. It is a major soil metabolite of propyzamide. It has a role as a xenobiotic metabolite. It is a member of benzamides, a dichlorobenzene and a methyl ketone. It derives from a propyzamide.

SMILES: CC(=O)C(C)(C)N=C(O)c1cc(Cl)cc(Cl)c1

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

InChI: InChI=1S/C12H13Cl2NO2/c1-7(16)12(2,3)15-11(17)8-4-9(13)6-10(14)5-8/h4-6H,1-3H3,(H,15,17)

Molecular Properties:
- Polar Surface Area: 46.2 Ų
- LogP: 2.8