N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | D001-0025 |
| Compound Name: | N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide |
| Molecular Weight: | 383.75 |
| Molecular Formula: | C18 H13 Cl F3 N O3 |
| Smiles: | CC1(Cc2ccccc2C(=O)O1)C(Nc1ccc(c(c1)C(F)(F)F)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9491 |
| logD: | 4.7615 |
| logSw: | -5.1019 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.451 |
| InChI Key: | RQKABARYJNKXJC-KRWDZBQOSA-N |