5-chloro-N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-2-fluorobenzamide
Chemical Structure Depiction of
5-chloro-N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-2-fluorobenzamide
5-chloro-N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-2-fluorobenzamide
Compound characteristics
Compound ID: | S639-1682 |
Compound Name: | 5-chloro-N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-2-fluorobenzamide |
Molecular Weight: | 383.89 |
Molecular Formula: | C19 H27 Cl F N3 O2 |
Smiles: | CN(C)C[C@@H]1CN(C[C@H]1NC(c1cc(ccc1F)[Cl])=O)C1CCOCC1 |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 2.2283 |
logD: | 0.116 |
logSw: | -3.5254 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 39.889 |
InChI Key: | XKNQIPBZKFUPST-UGSOOPFHSA-N |