Basic information
- Standard SMILES
CC(=O)CCCCn1ccc(NC(=O)/C=C/c2c(F)cccc2Cl)n1- InChIKey
PTCVBFBFBFSJPQ-CMDGGOBGSA-N- Molecular formula
- C18H19ClFN3O2
- Average molar mass
- 363.8 g/mol
- Monoisotopic mass
- 363.1149827
Names & identifiers
- Preferred name
- (E)-3-(2-Chloro-6-fluoro-phenyl)-N-[1-(5-oxo-hexyl)-1H-pyrazol-3-yl]-acrylamide
- IUPAC
- (E)-3-(2-chloro-6-fluorophenyl)-N-[1-(5-oxohexyl)pyrazol-3-yl]prop-2-enamide
Names & synonyms
SCHEMBL1167129PTCVBFBFBFSJPQ-CMDGGOBGSA-N(E)-3-(2-Chloro-6-fluoro-phenyl)-N-[1-(5-oxo-hexyl)-1H-pyrazol-3-yl]-acrylamide
Database identifiers
- PubChem CID
- 66929028
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 64 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 489
Related reactions
1 records
Compound notes
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