Basic information
- Standard SMILES
O=C(Nc1ccn(Cc2cc(Cl)ccc2OCc2ccccc2)n1)c1c(F)cccc1F- InChIKey
ZXZRAKARPBEYFF-UHFFFAOYSA-N- Molecular formula
- C24H18ClF2N3O2
- Average molar mass
- 453.9 g/mol
- Monoisotopic mass
- 453.1055608
Names & identifiers
- Preferred name
- N-[1-({5-chloro-2-[(phenylmethyl)oxy]phenyl}methyl)-1H-pyrazol-3-yl]-2,6-difluorobenzamide
- IUPAC
- N-[1-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyrazol-3-yl]-2,6-difluorobenzamide
Names & synonyms
SCHEMBL759700ZXZRAKARPBEYFF-UHFFFAOYSA-NN-[1-({5-chloro-2-[(phenylmethyl)oxy]phenyl}methyl)-1H-pyrazol-3-yl]-2,6-difluorobenzamide
Database identifiers
- PubChem CID
- 46947749
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 56.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 600
Related reactions
2 records
Compound notes
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