Basic information
- Standard SMILES
N#Cc1ccc(Nc2nccc(Nc3c(Cl)cc(C(F)(F)F)cc3Cl)n2)cc1- InChIKey
GZHZZSSHNAJANR-UHFFFAOYSA-N- Molecular formula
- C18H10Cl2F3N5
- Average molar mass
- 424.2 g/mol
Names & identifiers
- Preferred name
- 4-[[4-[2,6-Dichloro-4-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]benzonitrile
- IUPAC
- 4-[[4-[2,6-dichloro-4-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]benzonitrile
Names & synonyms
4-[[4-[2,6-dichloro-4-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]benzonitrileSCHEMBL11817134-[[4-[[2,6-dichloro-4-(trifluoromethyl)-phenyl ]amino]-2-pyrimidinyl]amino]benzonitrile4-[[4-[[2,6-dichloro-4-(trifluoromethyl)-phenyl]amino]-2-pyrimidinyl]amino]benzonitrile
Database identifiers
- PubChem CID
- 488774
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 549
Related reactions
6 records
Compound notes
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