Basic information
- Standard SMILES
FC(F)(F)c1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)c(Br)c1- InChIKey
UJNUKQMCUZYLDH-UHFFFAOYSA-N- Molecular formula
- C20H14BrClF3N
- Average molar mass
- 440.7 g/mol
- Monoisotopic mass
- 438.99502
Names & identifiers
- Preferred name
- N-(2-bromo-4-(trifluoromethyl)benzyl)-4'-chloro-[1,1'-biphenyl]-4-amine
- IUPAC
- N-[[2-bromo-4-(trifluoromethyl)phenyl]methyl]-4-(4-chlorophenyl)aniline
Names & synonyms
N-(2-bromo-4-(trifluoromethyl)benzyl)-4'-chloro-[1,1'-biphenyl]-4-amineSCHEMBL14054213
Database identifiers
- PubChem CID
- 71059841
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 431
Related reactions
2 records
Compound notes
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