Basic information
- Standard SMILES
Cc1ccc(NC(=O)c2ccc(CCl)cc2)cc1Nc1cc(C(F)(F)F)nc(-c2ccncc2)n1- InChIKey
GZCPFYKIYVYKDF-UHFFFAOYSA-N- Molecular formula
- C25H19ClF3N5O
- Average molar mass
- 497.9 g/mol
Names & identifiers
- Preferred name
- 4-chloromethyl-N-[4-methyl-3-(2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-ylamino)-phenyl]benzamide
- IUPAC
- 4-(chloromethyl)-N-[4-methyl-3-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]benzamide
Names & synonyms
4-chloromethyl-N-[4-methyl-3-(2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-ylamino)-phenyl]benzamideSCHEMBL54769624-Chloromethyl-N-[4-methyl-3-(2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin -4-ylamino)-phenyl]benzamide
Database identifiers
- PubChem CID
- 22732364
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 685
Related reactions
6 records
Compound notes
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