N-[rel-(3R,4S)-1-[(2-chloro-4-fluorophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]cyclobutanecarboxamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-[(2-chloro-4-fluorophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]cyclobutanecarboxamide
N-[rel-(3R,4S)-1-[(2-chloro-4-fluorophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]cyclobutanecarboxamide
Compound characteristics
| Compound ID: | S823-2969 |
| Compound Name: | N-[rel-(3R,4S)-1-[(2-chloro-4-fluorophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]cyclobutanecarboxamide |
| Molecular Weight: | 340.82 |
| Molecular Formula: | C17 H22 Cl F N2 O2 |
| Smiles: | C1CC(C1)C(N[C@@H]1CN(Cc2ccc(cc2[Cl])F)C[C@H]1CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4479 |
| logD: | 0.1254 |
| logSw: | -2.4837 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.179 |
| InChI Key: | MRCLUJVVZKHELZ-XJKSGUPXSA-N |