Basic information
- Standard SMILES
CNC(=O)c1cccc(Nc2nc(Cl)ncc2F)c1- InChIKey
JMUWEYZURIFDMR-UHFFFAOYSA-N- Molecular formula
- C12H10ClFN4O
- Average molar mass
- 280.68 g/mol
Names & identifiers
- Preferred name
- 3-((2-chloro-5-fluoropyrimidin-4-yl)amino)-N-methylbenzamide
- IUPAC
- 3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-N-methylbenzamide
Names & synonyms
SCHEMBL2302190JMUWEYZURIFDMR-UHFFFAOYSA-N3-((2-chloro-5-fluoropyrimidin-4-yl)amino)-N-methylbenzamide
Database identifiers
- PubChem CID
- 86685261
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 320
Related reactions
2 records
Compound notes
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