rel-(3R,4R)-1-(2-chloro-4-fluorobenzoyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-(2-chloro-4-fluorobenzoyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide
rel-(3R,4R)-1-(2-chloro-4-fluorobenzoyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S836-3641 |
| Compound Name: | rel-(3R,4R)-1-(2-chloro-4-fluorobenzoyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide |
| Molecular Weight: | 328.77 |
| Molecular Formula: | C15 H18 Cl F N2 O3 |
| Smiles: | CNC([C@@H]1CN(C[C@H]1COC)C(c1ccc(cc1[Cl])F)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9999 |
| logD: | 0.9999 |
| logSw: | -2.8856 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.379 |
| InChI Key: | KKVNCJCOKDJGPS-JOYOIKCWSA-N |