Basic information
- Standard SMILES
CC(F)(F)c1ccc(Cn2ccc(NC(=O)/C=C/c3ccc(F)cc3Cl)n2)o1- InChIKey
RSBIGZURQTVPFM-XVNBXDOJSA-N- Molecular formula
- C19H15ClF3N3O2
- Average molar mass
- 409.8 g/mol
- Monoisotopic mass
- 409.0804889
Names & identifiers
- Preferred name
- (E)-3-(2-Chloro-4-fluoro-phenyl)-N-{1-[5-(1,1-difluoro-ethyl)-furan-2-ylmethyl]-1H-pyrazol-3-yl}-acrylamide
- IUPAC
- (E)-3-(2-chloro-4-fluorophenyl)-N-[1-[[5-(1,1-difluoroethyl)furan-2-yl]methyl]pyrazol-3-yl]prop-2-enamide
Names & synonyms
(E)-3-(2-Chloro-4-fluoro-phenyl)-N-{1-[5-(1,1-difluoro-ethyl)-furan-2-ylmethyl]-1H-pyrazol-3-yl}-acrylamideSCHEMBL1166714
Database identifiers
- PubChem CID
- 66928699
Properties
Computed structural properties
- XLogP
- 4.1
- 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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