rel-(3R,4R)-1-(2-chloro-5-fluorobenzoyl)-4-(methoxymethyl)pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-(2-chloro-5-fluorobenzoyl)-4-(methoxymethyl)pyrrolidine-3-carboxamide
rel-(3R,4R)-1-(2-chloro-5-fluorobenzoyl)-4-(methoxymethyl)pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S836-2872 |
| Compound Name: | rel-(3R,4R)-1-(2-chloro-5-fluorobenzoyl)-4-(methoxymethyl)pyrrolidine-3-carboxamide |
| Molecular Weight: | 314.74 |
| Molecular Formula: | C14 H16 Cl F N2 O3 |
| Smiles: | COC[C@@H]1CN(C[C@H]1C(N)=O)C(c1cc(ccc1[Cl])F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0938 |
| logD: | 1.0938 |
| logSw: | -2.8511 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.602 |
| InChI Key: | ISHKZHKJSHTTJB-GZMMTYOYSA-N |