N-[(2-chloro-4-fluorophenyl)methyl]-2-ethyl-3-oxo-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
Chemical Structure Depiction of
N-[(2-chloro-4-fluorophenyl)methyl]-2-ethyl-3-oxo-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
N-[(2-chloro-4-fluorophenyl)methyl]-2-ethyl-3-oxo-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
Compound characteristics
| Compound ID: | M575-0099 |
| Compound Name: | N-[(2-chloro-4-fluorophenyl)methyl]-2-ethyl-3-oxo-1,2,3,4-tetrahydroisoquinoline-1-carboxamide |
| Molecular Weight: | 360.81 |
| Molecular Formula: | C19 H18 Cl F N2 O2 |
| Smiles: | CCN1C(C(NCc2ccc(cc2[Cl])F)=O)c2ccccc2CC1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4466 |
| logD: | 3.4466 |
| logSw: | -3.6985 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.61 |
| InChI Key: | CMXIVWLQKOWUCY-GOSISDBHSA-N |