N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | D001-0027 |
| Compound Name: | N-[2-chloro-5-(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(Nc1cc(ccc1[Cl])C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.765 |
| logD: | 4.5445 |
| logSw: | -4.9331 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.753 |
| InChI Key: | HODGANLPLULLDT-KRWDZBQOSA-N |