4-nitro-N-[2,2,2-trichloro-1-(2,5-dimethylanilino)ethyl]benzamide
Basic information
- CAS
5157-71-1- Standard SMILES
Cc1ccc(C)c(NC(NC(=O)c2ccc([N+](=O)[O-])cc2)C(Cl)(Cl)Cl)c1- InChIKey
AXIHBEALLFZARK-UHFFFAOYSA-N- Molecular formula
- C17H16Cl3N3O3
- Average molar mass
- 416.7 g/mol
- Monoisotopic mass
- 415.025724
Names & identifiers
- Preferred name
- 4-nitro-N-[2,2,2-trichloro-1-(2,5-dimethylanilino)ethyl]benzamide
- IUPAC
- 4-nitro-N-[2,2,2-trichloro-1-(2,5-dimethylanilino)ethyl]benzamide
Names & synonyms
4-nitro-N-[2,2,2-trichloro-1-(2,5-dimethylanilino)ethyl]benzamide5157-71-1AG-690/33363012DTXSID90385297STK809601AKOS002162244AKOS0162892734-nitro-N-{2,2,2-trichloro-1-[(2,5-dimethylphenyl)amino]ethyl}benzamide
Database identifiers
- CAS
5157-71-1- PubChem CID
- 2831337
- DTXSID
DTXSID90385297
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 502
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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