6-{[(3-Chlorobenzyl)amino]carbonyl}-3,4-dimethyl-3-cyclohexene-1-carboxylic acid
6-[(3-chlorophenyl)methylcarbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Also Known As: 6-{[(3-chlorobenzyl)amino]carbonyl}-3,4-dimethyl-3-cyclohexene-1-carboxylic acid|6-((3-chlorobenzyl)carbamoyl)-3,4-dimethylcyclohex-3-enecarboxylic acid|6-[(3-chlorobenzyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid|6-[(3-chlorophenyl)methylcarbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic Acid|6-[(3-chlorophenyl)methylcarbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid|6-{N-[(3-chlorophenyl)methyl]carbamoyl}-3,4-dimethylcyclohex-3-enecarboxylic a cid
| Molecular Formula | C17H20ClNO3 |
|---|---|
| Molecular Weight | 321.11316 g/mol |
| LogP | 3.4034 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.11316 |
| Monoisotopic Mass | 321.11316 |
| Heavy Atoms | 22 |
| Complexity | 624.085 |
Chemical Identifiers
| CAS Number | 899587-83-8 |
|---|---|
| SMILES | CC1=C(CC(C(C1)C(=O)NCC2=CC(=CC=C2)Cl)C(=O)O)C |
Product Overview
6-{[(3-Chlorobenzyl)amino]carbonyl}-3,4-dimethyl-3-cyclohexene-1-carboxylic acid (CAS 899587-83-8), with molecular formula C17H20ClNO3 and molecular weight 321.11316 g/mol. IUPAC: 6-[(3-chlorophenyl)methylcarbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid.