Basic information
- Standard SMILES
N[C@@H](Cc1ccccc1C(F)(F)F)C(=O)Nc1ccc(I)cc1F- InChIKey
SHLHJLZIBSEZIJ-ZDUSSCGKSA-N- Molecular formula
- C16H13F4IN2O
- Average molar mass
- 452.18 g/mol
- Monoisotopic mass
- 452.00087
Names & identifiers
- Preferred name
- (S)-2-amino-N-(2-fluoro-4-iodo-phenyl)-3-(2-trifluoromethyl-phenyl)-propionamide
- IUPAC
- (2S)-2-amino-N-(2-fluoro-4-iodophenyl)-3-[2-(trifluoromethyl)phenyl]propanamide
Names & synonyms
(S)-2-amino-N-(2-fluoro-4-iodo-phenyl)-3-(2-trifluoromethyl-phenyl)-propionamideSCHEMBL3380374
Database identifiers
- PubChem CID
- 68620547
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 435
Related reactions
1 records
Compound notes
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