Molecule ID: 1988

IUPAC Name: 2-chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide

Description: The molecule is a monocarboxylic acid amide that is N-phenylacetamide carrying an ethyl and a methyl group at positions 2 and 6 respectively on the benzene ring while one of the methyl hydrogens as well as the hydrogen attached to the nitrogen atom have been replaced by a chloro and an ethoxymethyl group respectively. It has a role as a herbicide, a xenobiotic and an environmental contaminant. It is a monocarboxylic acid amide, an organochlorine compound and an aromatic amide. It derives from a N-phenylacetamide.

SMILES: CCOCN(C(=O)CCl)c1c(C)cccc1CC

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

InChI: InChI=1S/C14H20ClNO2/c1-4-12-8-6-7-11(3)14(12)16(10-18-5-2)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3

Molecular Properties:
- Polar Surface Area: 29.5 Ų
- LogP: 3.2