Basic information
- Standard SMILES
Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cccc([N+](=O)[O-])c1- InChIKey
BTABBIPIZIBNEQ-UHFFFAOYSA-N- Molecular formula
- C21H15F3N2O3
- Average molar mass
- 400.3 g/mol
Names & identifiers
- Preferred name
- N-(6-Methyl-3'-nitrobiphenyl-3-yl)-3-(trifluoromethyl)benzamide
- IUPAC
- N-[4-methyl-3-(3-nitrophenyl)phenyl]-3-(trifluoromethyl)benzamide
Names & synonyms
N-(6-Methyl-3'-nitrobiphenyl-3-yl)-3-(trifluoromethyl)benzamideSCHEMBL4440208
Database identifiers
- PubChem CID
- 69045292
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 593
Related reactions
4 records
Compound notes
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