Basic information
- Standard SMILES
CCCCOc1ccccc1Cn1ccc(NC(=O)c2c(F)cccc2F)n1- InChIKey
XPAPGNWYWXTANK-UHFFFAOYSA-N- Molecular formula
- C21H21F2N3O2
- Average molar mass
- 385.4 g/mol
- Monoisotopic mass
- 385.16018325
Names & identifiers
- Preferred name
- N-(1-{(2-(butyloxy)phenyl]methyl}-1H-pyrazol-3-yl)-2,6-difluorobenzamide
- IUPAC
- N-[1-[(2-butoxyphenyl)methyl]pyrazol-3-yl]-2,6-difluorobenzamide
Names & synonyms
N-(1-{(2-(butyloxy)phenyl]methyl}-1H-pyrazol-3-yl)-2,6-difluorobenzamideN-(1-{[2-(butyloxy)phenyl]methyl}-1H-pyrazol-3-yl)-2,6-difluorobenzamideSCHEMBL3067259XPAPGNWYWXTANK-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 59548017
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 56.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 486
Related reactions
2 records
Compound notes
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