Basic information
- CAS
81217-08-5- Standard SMILES
Cc1ccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1I- InChIKey
LOEYJQYMBWTTQH-UHFFFAOYSA-N- Molecular formula
- C19H18IN3O2
- Average molar mass
- 447.3 g/mol
- Monoisotopic mass
- 447.04437
Names & identifiers
- Preferred name
- p-Toluamide, N-antipyrinyl-3-iodo-
- IUPAC
- N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-iodo-4-methylbenzamide
- English name
- N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-iodo-4-methyl-benzamide
- Molecular formula
- C19H18IN3O2
- Molecular weight
- 0
Names & synonyms
p-Toluamide, N-antipyrinyl-3-iodo-N-Antipyrinyl-3-iodo-p-toluamideBRN 512356481217-08-5Benzamide, N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-3-iodo-4-methyl-DTXSID80230964RefChem:367758DTXCID10153455N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-iodo-4-methylbenzamideN-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-iodo-4-methyl-benzamide
Database identifiers
- CAS
81217-08-5- PubChem CID
- 3067304
- DTXSID
DTXSID80230964- Nikkaji
- J59.685J
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 52.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 571
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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