Benzamide, N-(1-(antipyrinylcarbamoyl)propyl)-
Basic information
- CAS
81216-98-0- Standard SMILES
CCC(NC(=O)c1ccccc1)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O- InChIKey
QHKZSPDLCANHFO-UHFFFAOYSA-N- Molecular formula
- C22H24N4O3
- Average molar mass
- 392.5 g/mol
- Monoisotopic mass
- 392.18484064
Names & identifiers
- Preferred name
- Benzamide, N-(1-(antipyrinylcarbamoyl)propyl)-
- IUPAC
- N-[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxobutan-2-yl]benzamide
Names & synonyms
BRN 5161402N-(1-(Antipyrinylcarbamoyl)propyl)benzamideBENZAMIDE, N-(1-(ANTIPYRINYLCARBAMOYL)PROPYL)-81216-98-0RefChem:322117DTXSID201001851N-{1-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]-1-hydroxybutan-2-yl}benzenecarboximidic acid
Database identifiers
- CAS
81216-98-0- PubChem CID
- 54706
- DTXSID
DTXSID201001851- Nikkaji
- J522.586H、J68.053B
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 663
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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