2-(4-Methylanilino)-1-(4-nitrophenyl)ethanone
Basic information
- CAS
26464-50-6- Standard SMILES
Cc1ccc(NCC(=O)c2ccc([N+](=O)[O-])cc2)cc1- InChIKey
VLWGLZKRJULNKK-UHFFFAOYSA-N- Molecular formula
- C15H14N2O3
- Average molar mass
- 270.28 g/mol
- Monoisotopic mass
- 270.10044231
Overview
2-(4-methylanilino)-1-(4-nitrophenyl)ethanone is an aromatic ketone.
Names & identifiers
- Preferred name
- 2-(4-Methylanilino)-1-(4-nitrophenyl)ethanone
- IUPAC
- 2-(4-methylanilino)-1-(4-nitrophenyl)ethanone
Names & synonyms
26464-50-62-(4-methylanilino)-1-(4-nitrophenyl)ethanoneEthanone, 2-[(4-methylphenyl)amino]-1-(4-nitrophenyl)-AH-034/113659052-(4-Methylanilino)-1-(4-nitrophenyl)ethan-1-oneMLS0005731031-{4-nitrophenyl}-2-(4-toluidino)ethanoneCambridge id 5249186Oprea1_233126CBDivE_013592CHEMBL1518922DTXSID70354067
Show more names
CHEBI:116667HMS2723O14AKOS001334364SMR000185034ST45113465AB00076676-01SR-01000395209SR-01000395209-1
Database identifiers
- CAS
26464-50-6- PubChem CID
- 762771
- DTXSID
DTXSID70354067- ChEMBL
CHEMBL1518922- ChEBI
CHEBI:116667
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 338
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Related reactions
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Compound notes
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