N-(2,6-dimethylphenyl)-3-methyl-2-nitrobenzamide

HCID 889804

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Basic information

CAS: 54440-19-6
Standard SMILES: Cc1cccc(C)c1NC(=O)c1cccc(C)c1[N+](=O)[O-]
InChIKey: JVKUOZKOHQHKFY-UHFFFAOYSA-N
Molecular formula: C16H16N2O3
Average molar mass: 284.31 g/mol
Monoisotopic mass: 284.11609238

Names & identifiers

Preferred name: N-(2,6-dimethylphenyl)-3-methyl-2-nitrobenzamide
IUPAC: N-(2,6-dimethylphenyl)-3-methyl-2-nitrobenzamide

Names & synonyms

N-(2,6-dimethylphenyl)-3-methyl-2-nitrobenzamide54440-19-6Benzamide, N-(2,6-dimethylphenyl)-3-methyl-2-nitro-ST50635259SCHEMBL11750549DTXSID50358366STL261229AKOS001297282SR-01000261316SR-01000261316-1Z27071687N-(2,6-dimethylphenyl)(3-methyl-2-nitrophenyl)carboxamide

Database identifiers

CAS: 54440-19-6
PubChem CID: 889804
DTXSID: DTXSID50358366

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 74.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 21
Formal charge: 0
Complexity: 383

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