Basic information
- CAS
81216-97-9- Standard SMILES
Cc1c(NC(=O)C(C)NC(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C- InChIKey
SYYYSWYBNFXQPN-UHFFFAOYSA-N- Molecular formula
- C21H22N4O3
- Average molar mass
- 378.4 g/mol
- Monoisotopic mass
- 378.16919058
Names & identifiers
- Preferred name
- Benzamide, N-(1-(antipyrinylcarbamoyl)ethyl)-
- IUPAC
- N-[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl]benzamide
Names & synonyms
BENZAMIDE, N-(1-(ANTIPYRINYLCARBAMOYL)ETHYL)-81216-97-9RefChem:1078031BRN 5150922N-(1-(Antipyrinylcarbamoyl)ethyl)benzamide
Database identifiers
- CAS
81216-97-9- PubChem CID
- 54705
- Nikkaji
- J522.584A、J68.048F
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 648
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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