Molecule ID: 213031

IUPAC Name: N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide

Description: The molecule is an aromatic amide resulting from the formal condensation of the carboxy group of 1-methylcyclohexanecarboxylic acid with the amino group of 4-amino-2,3-dichlorophenol. It has a role as an EC 1.14.13.72 (methylsterol monooxygenase) inhibitor, a sterol biosynthesis inhibitor and an antifungal agrochemical. It is a monocarboxylic acid amide, a member of phenols, an aromatic amide, a dichlorobenzene and an anilide fungicide.

SMILES: CC1(C(O)=Nc2ccc(O)c(Cl)c2Cl)CCCCC1

SELFIES: [C][C][Branch2][Ring1][Branch1][C][Branch1][C][O][=N][C][=C][C][=C][Branch1][C][O][C][Branch1][C][Cl][=C][Ring1][Branch2][Cl][C][C][C][C][C][Ring2][Ring1][C]

InChI: InChI=1S/C14H17Cl2NO2/c1-14(7-3-2-4-8-14)13(19)17-9-5-6-10(18)12(16)11(9)15/h5-6,18H,2-4,7-8H2,1H3,(H,17,19)

Molecular Properties:
- Polar Surface Area: 49.3 Ų
- LogP: 4.4