Benzamide, N-antipyrinyl-m-iodo-N-isopropyl-
Basic information
- CAS
81217-10-9- Standard SMILES
Cc1c(N(C(=O)c2cccc(I)c2)C(C)C)c(=O)n(-c2ccccc2)n1C- InChIKey
FBDZDNSHYGOELZ-UHFFFAOYSA-N- Molecular formula
- C21H22IN3O2
- Average molar mass
- 475.3 g/mol
- Monoisotopic mass
- 475.07567
Names & identifiers
- Preferred name
- Benzamide, N-antipyrinyl-m-iodo-N-isopropyl-
- IUPAC
- N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-iodo-N-propan-2-ylbenzamide
- English name
- N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-iodo-N-propan-2-yl-benz amide
- Molecular formula
- C21H22IN3O2
- Molecular weight
- 0
Names & synonyms
81217-10-9BRN 5144762N-Antipyrinyl-m-iodo-N-isopropylbenzamideBENZAMIDE, N-ANTIPYRINYL-m-IODO-N-ISOPROPYL-DTXSID00230966RefChem:322465DTXCID30153457N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-iodo-N-(propan-2-yl)benzamideN-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-iodo-N-propan-2-yl-benz amide
Database identifiers
- CAS
81217-10-9- PubChem CID
- 54716
- DTXSID
DTXSID00230966- Nikkaji
- J68.055I
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 43.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 613
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Related reactions
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Compound notes
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