N-[rel-(3R,4S)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]-2-chlorobenzamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]-2-chlorobenzamide
N-[rel-(3R,4S)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]-2-chlorobenzamide
Compound characteristics
| Compound ID: | S823-0851 |
| Compound Name: | N-[rel-(3R,4S)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]-2-chlorobenzamide |
| Molecular Weight: | 344.84 |
| Molecular Formula: | C19 H21 Cl N2 O2 |
| Smiles: | C(c1ccccc1)N1C[C@H]([C@@H](C1)CO)NC(c1ccccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.6584 |
| logD: | 1.2926 |
| logSw: | -3.4363 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 45.656 |
| InChI Key: | ZABUBJWTUTWKIU-QAPCUYQASA-N |