N-(4-acetylphenyl)-3-methyl-4-nitrobenzamide
Basic information
- CAS
313960-81-5- Standard SMILES
CC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1- InChIKey
LBOWMPWBQPKEKJ-UHFFFAOYSA-N- Molecular formula
- C16H14N2O4
- Average molar mass
- 298.29 g/mol
- Monoisotopic mass
- 298.09535693
Names & identifiers
- Preferred name
- N-(4-acetylphenyl)-3-methyl-4-nitrobenzamide
- IUPAC
- N-(4-acetylphenyl)-3-methyl-4-nitrobenzamide
Names & synonyms
N-(4-acetylphenyl)-3-methyl-4-nitrobenzamide313960-81-5Cambridge id 5509943DTXSID30354407AKOS000174006CS-0367944EU-0035659AB00087067-01SR-01000407607SR-01000407607-1Z27699685
Database identifiers
- CAS
313960-81-5- PubChem CID
- 772146
- DTXSID
DTXSID30354407
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 92 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 438
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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