Basic information
- Standard SMILES
N#C[C@H]1CN[C@H](C(=O)Nc2ccc(Oc3ccc(F)cc3)cc2)C1- InChIKey
ZNXZZWAIXHRQGB-SJCJKPOMSA-N- Molecular formula
- C18H16FN3O2
- Average molar mass
- 325.3 g/mol
Names & identifiers
- Preferred name
- (2S,4R)-4-cyano-N-(4-(4-fluorophenoxy)phenyl)pyrrolidine-2-carboxamide
- IUPAC
- (2S,4R)-4-cyano-N-[4-(4-fluorophenoxy)phenyl]pyrrolidine-2-carboxamide
Names & synonyms
SCHEMBL1373800ZNXZZWAIXHRQGB-SJCJKPOMSA-N(2S,4R)-4-cyano-N-(4-(4-fluorophenoxy)phenyl)pyrrolidine-2-carboxamide
Database identifiers
- PubChem CID
- 67010040
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 476
Related reactions
2 records
Compound notes
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