Basic information
- Standard SMILES
O=C(NCc1cccc(C(F)(F)F)c1Cl)[C@@H]1CCC(=O)N1Cc1ccccc1- InChIKey
SIHWHBDEWHCWCW-INIZCTEOSA-N- Molecular formula
- C20H18ClF3N2O2
- Average molar mass
- 410.8 g/mol
- Monoisotopic mass
- 410.10089
Names & identifiers
- Preferred name
- N-{[2-chloro-3-(trifluoromethyl)phenyl]methyl}-5-oxo-1-(phenylmethyl)prolinamide
- IUPAC
- (2S)-1-benzyl-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide
Names & synonyms
N-{[2-chloro-3-(trifluoromethyl)phenyl]methyl}-5-oxo-1-(phenylmethyl)prolinamideSCHEMBL2580568
Database identifiers
- PubChem CID
- 67461192
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 566
Related reactions
2 records
Compound notes
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