N-(2-chloro-4-fluorophenyl)-3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)propanamide
Chemical Structure Depiction of
N-(2-chloro-4-fluorophenyl)-3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)propanamide
N-(2-chloro-4-fluorophenyl)-3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)propanamide
Compound characteristics
| Compound ID: | K978-0418 |
| Compound Name: | N-(2-chloro-4-fluorophenyl)-3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)propanamide |
| Molecular Weight: | 362.79 |
| Molecular Formula: | C18 H16 Cl F N2 O3 |
| Smiles: | C(CN1C(C2C3CC(C=C3)C2C1=O)=O)C(Nc1ccc(cc1[Cl])F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9175 |
| logD: | 1.8843 |
| logSw: | -2.8591 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.766 |
| InChI Key: | JBAQUWHBCNKLEF-UHFFFAOYSA-N |