Benzamide, N-(1-(antipyrinylcarbamoyl)-2-methylpropyl)-
Basic information
- CAS
81216-99-1- Standard SMILES
Cc1c(NC(=O)C(NC(=O)c2ccccc2)C(C)C)c(=O)n(-c2ccccc2)n1C- InChIKey
WVJXWKFQYKXWRN-UHFFFAOYSA-N- Molecular formula
- C23H26N4O3
- Average molar mass
- 406.5 g/mol
- Monoisotopic mass
- 406.2004907
Names & identifiers
- Preferred name
- Benzamide, N-(1-(antipyrinylcarbamoyl)-2-methylpropyl)-
- IUPAC
- N-[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide
Names & synonyms
BRN 5159521N-(1-(Antipyrinylcarbamoyl)-2-methylpropyl)benzamide81216-99-1BENZAMIDE, N-(1-(ANTIPYRINYLCARBAMOYL)-2-METHYLPROPYL)-RefChem:322114DTXSID901001852N-{1-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]-1-hydroxy-3-methylbutan-2-yl}benzenecarboximidic acid
Database identifiers
- CAS
81216-99-1- PubChem CID
- 54707
- DTXSID
DTXSID901001852- Nikkaji
- J522.589B、J68.051F
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 691
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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