Basic information
- CAS
66144-17-0- Standard SMILES
Cc1cc(C)cc(NCC(=O)c2ccc([N+](=O)[O-])cc2)c1- InChIKey
BDEUJQNTESIVCG-UHFFFAOYSA-N- Molecular formula
- C16H16N2O3
- Average molar mass
- 284.31 g/mol
- Monoisotopic mass
- 284.11609238
Names & identifiers
- Preferred name
- 2-(3,5-Dimethylanilino)-1-(4-nitrophenyl)ethanone
- IUPAC
- 2-(3,5-dimethylanilino)-1-(4-nitrophenyl)ethanone
Names & synonyms
2-(3,5-dimethylanilino)-1-(4-nitrophenyl)ethanone66144-17-0DTXSID70216333RefChem:251302DTXCID70138824N-(4-nitrophenacyl)-3,5-dimethylaniline2-(3,5-Dimethylanilino)-1-(4-nitrophenyl)ethan-1-one
Database identifiers
- CAS
66144-17-0- PubChem CID
- 181777
- DTXSID
DTXSID70216333
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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