Basic information
- Standard SMILES
CC(F)(F)c1ccc(Cn2cc(NC(=O)C=Cc3ccc(F)cc3Cl)cn2)o1- InChIKey
BJYLRZUOGQURLW-UHFFFAOYSA-N- Molecular formula
- C19H15ClF3N3O2
- Average molar mass
- 409.8 g/mol
- Monoisotopic mass
- 409.0804889
Names & identifiers
- Preferred name
- 3-(2-chloro-4-fluorophenyl)-N-[1-[[5-(1,1-difluoroethyl)furan-2-yl]methyl]pyrazol-4-yl]prop-2-enamide
- IUPAC
- 3-(2-chloro-4-fluorophenyl)-N-[1-[[5-(1,1-difluoroethyl)furan-2-yl]methyl]pyrazol-4-yl]prop-2-enamide
Names & synonyms
SCHEMBL1167790
Database identifiers
- PubChem CID
- 66929432
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 60.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 581
Related reactions
1 records
Compound notes
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