Molecule ID: 11461130

IUPAC Name: 2-cyano-N-[1-(2,4-dichlorophenyl)ethyl]-3,3-dimethylbutanamide

Description: The molecule is a monocarboxylic acid amide obtained by formal condensation of the carboxy group of 2-cyano-3,3-dimethylbutanoic acid with the amino group of 1-(2,4-dichlorophenyl)ethylamine. It is a dichlorobenzene, a monocarboxylic acid amide and a nitrile.

SMILES: CC(N=C(O)C(C#N)C(C)(C)C)c1ccc(Cl)cc1Cl

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

InChI: InChI=1S/C15H18Cl2N2O/c1-9(11-6-5-10(16)7-13(11)17)19-14(20)12(8-18)15(2,3)4/h5-7,9,12H,1-4H3,(H,19,20)

Molecular Properties:
- Polar Surface Area: 52.9 Ų
- LogP: 4.3