Basic information
- CAS
282091-61-6- Standard SMILES
Cc1ccc(C)c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1- InChIKey
PJNWKWJELQOMOC-UHFFFAOYSA-N- Molecular formula
- C15H13N3O5
- Average molar mass
- 315.28 g/mol
- Monoisotopic mass
- 315.08552052
Names & identifiers
- Preferred name
- N-(2,5-dimethylphenyl)-3,5-dinitrobenzamide
- IUPAC
- N-(2,5-dimethylphenyl)-3,5-dinitrobenzamide
Names & synonyms
N-(2,5-dimethylphenyl)-3,5-dinitrobenzamideN-(2,5-Dimethyl-phenyl)-3,5-dinitro-benzamideOprea1_367889Oprea1_869789MLS001205755CHEMBL1415603PJNWKWJELQOMOC-UHFFFAOYSA-NDTXSID701329666HMS2814I11STK017155AKOS000491918282091-61-6
Show more names
SMR000504732ST45039014N-(2,5-dimethylphenyl)(3,5-dinitrophenyl)carboxamide
Database identifiers
- CAS
282091-61-6- PubChem CID
- 577887
- DTXSID
DTXSID701329666- ChEMBL
CHEMBL1415603
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 451
Experimental & physicochemical properties
Solubility0.6 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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