Basic information
- Standard SMILES
CN(C[C@@H](CC=O)c1ccc(F)cc1)C(=O)c1cc(Br)cc(C(F)(F)F)c1- InChIKey
UNMVUHSNHPGTPH-CYBMUJFWSA-N- Molecular formula
- C19H16BrF4NO2
- Average molar mass
- 446.2 g/mol
Names & identifiers
- Preferred name
- 3-bromo-N-[(2S)-2-(4-fluorophenyl)-4-oxobutyl]-N-methyl-5-(trifluoromethyl)benzamide
- IUPAC
- 3-bromo-N-[(2S)-2-(4-fluorophenyl)-4-oxobutyl]-N-methyl-5-(trifluoromethyl)benzamide
Names & synonyms
3-bromo-N-[(2S)-2-(4-fluorophenyl)-4-oxobutyl]-N-methyl-5-(trifluoromethyl)benzamideSCHEMBL493659
Database identifiers
- PubChem CID
- 15950658
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 508
Related reactions
4 records
Compound notes
Loading…