Basic information
- Standard SMILES
Cc1cc(F)ccc1C[C@H]1CN[C@H](C(=O)Nc2ccc(Oc3ccc(F)cc3)cc2)C1- InChIKey
GIEMQUIBMWSDIV-OSPHWJPCSA-N- Molecular formula
- C25H24F2N2O2
- Average molar mass
- 422.5 g/mol
- Monoisotopic mass
- 422.18058434
Names & identifiers
- Preferred name
- (2S,4R)-4-(4-fluoro-2-methylbenzyl)-N-(4-(4-fluorophenoxy)phenyl)pyrrolidine-2-carboxamide
- IUPAC
- (2S,4R)-4-[(4-fluoro-2-methylphenyl)methyl]-N-[4-(4-fluorophenoxy)phenyl]pyrrolidine-2-carboxamide
Names & synonyms
SCHEMBL1372386GIEMQUIBMWSDIV-OSPHWJPCSA-N(2S,4R)-4-(4-fluoro-2-methylbenzyl)-N-(4-(4-fluorophenoxy)phenyl)pyrrolidine-2-carboxamide
Database identifiers
- PubChem CID
- 67009160
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 576
Related reactions
3 records
Compound notes
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