3-(4-Ethylanilino)-1-(4-nitrophenyl)propan-1-one
Basic information
- CAS
5924-72-1- Standard SMILES
CCc1ccc(NCCC(=O)c2ccc([N+](=O)[O-])cc2)cc1- InChIKey
KVPZTURYLVIQLG-UHFFFAOYSA-N- Molecular formula
- C17H18N2O3
- Average molar mass
- 298.34 g/mol
- Monoisotopic mass
- 298.13174244
Names & identifiers
- Preferred name
- 3-(4-Ethylanilino)-1-(4-nitrophenyl)propan-1-one
- IUPAC
- 3-(4-ethylanilino)-1-(4-nitrophenyl)propan-1-one
Names & synonyms
5924-72-13-(4-ethylanilino)-1-{4-nitrophenyl}-1-propanone3-(4-ethylanilino)-1-(4-nitrophenyl)propan-1-oneCBMicro_049342Cambridge id 5924721Oprea1_838984DTXSID10367050BIM-0049511.P001AG-205/32361040SR-01000223465SR-01000223465-1
Database identifiers
- CAS
5924-72-1- PubChem CID
- 2222892
- DTXSID
DTXSID10367050
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 365
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Compound notes
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