Basic information
- CAS
81217-01-8- Standard SMILES
Cc1c(NC(=O)C(CC(C)C)NC(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C- InChIKey
QUPUTLURUQMPMS-UHFFFAOYSA-N- Molecular formula
- C24H28N4O3
- Average molar mass
- 420.5 g/mol
- Monoisotopic mass
- 420.21614077
Names & identifiers
- Preferred name
- Benzamide, N-(1-(antipyrinylcarbamoyl)-3-methylbutyl)-
- IUPAC
- N-[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-4-methyl-1-oxopentan-2-yl]benzamide
Names & synonyms
BRN 5171617N-(1-(Antipyrinylcarbamoyl)-3-methylbutyl)benzamide81217-01-8BENZAMIDE, N-(1-(ANTIPYRINYLCARBAMOYL)-3-METHYLBUTYL)-RefChem:322115DTXSID301001854N-{1-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]-1-hydroxy-4-methylpentan-2-yl}benzenecarboximidic acid
Database identifiers
- CAS
81217-01-8- PubChem CID
- 54709
- DTXSID
DTXSID301001854- Nikkaji
- J522.588D、J68.050H
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 706
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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