rel-(3R,4R)-1-(5-chloro-2-fluorobenzoyl)-4-(hydroxymethyl)-N-methylpyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-(5-chloro-2-fluorobenzoyl)-4-(hydroxymethyl)-N-methylpyrrolidine-3-carboxamide
rel-(3R,4R)-1-(5-chloro-2-fluorobenzoyl)-4-(hydroxymethyl)-N-methylpyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S836-4554 |
| Compound Name: | rel-(3R,4R)-1-(5-chloro-2-fluorobenzoyl)-4-(hydroxymethyl)-N-methylpyrrolidine-3-carboxamide |
| Molecular Weight: | 314.74 |
| Molecular Formula: | C14 H16 Cl F N2 O3 |
| Smiles: | CNC([C@@H]1CN(C[C@H]1CO)C(c1cc(ccc1F)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.6566 |
| logD: | 0.6566 |
| logSw: | -2.5207 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.07 |
| InChI Key: | INDQTWJIFRIFMJ-GZMMTYOYSA-N |