N-(3-chloro-4-fluorophenyl)-2-(1-oxoisoquinolin-2(1H)-yl)acetamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-(1-oxoisoquinolin-2(1H)-yl)acetamide
N-(3-chloro-4-fluorophenyl)-2-(1-oxoisoquinolin-2(1H)-yl)acetamide
Compound characteristics
| Compound ID: | C066-0996 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-(1-oxoisoquinolin-2(1H)-yl)acetamide |
| Molecular Weight: | 330.74 |
| Molecular Formula: | C17 H12 Cl F N2 O2 |
| Smiles: | C(C(Nc1ccc(c(c1)[Cl])F)=O)N1C=Cc2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.1899 |
| logD: | 3.1839 |
| logSw: | -3.8485 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.831 |
| InChI Key: | JKESHBQBDWTPPR-UHFFFAOYSA-N |