N-[rel-(3R,4S)-1-(2-chloro-4-fluorobenzoyl)-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-(2-chloro-4-fluorobenzoyl)-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide
N-[rel-(3R,4S)-1-(2-chloro-4-fluorobenzoyl)-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide
Compound characteristics
| Compound ID: | S823-4624 |
| Compound Name: | N-[rel-(3R,4S)-1-(2-chloro-4-fluorobenzoyl)-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide |
| Molecular Weight: | 314.74 |
| Molecular Formula: | C14 H16 Cl F N2 O3 |
| Smiles: | CC(N[C@@H]1CN(C[C@H]1CO)C(c1ccc(cc1[Cl])F)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.3538 |
| logD: | 0.3538 |
| logSw: | -2.7599 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.742 |
| InChI Key: | NUOYHGBSSGQLRP-TVQRCGJNSA-N |