3-Nitro-4-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]benzamide
Basic information
- CAS
762250-79-3- Standard SMILES
NC(=O)c1ccc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c([N+](=O)[O-])c1- InChIKey
LIFKXBODIKEQDV-UHFFFAOYSA-N- Molecular formula
- C18H17F3N4O3
- Average molar mass
- 394.3 g/mol
- Monoisotopic mass
- 394.1252749
Names & identifiers
- Preferred name
- 3-Nitro-4-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]benzamide
- IUPAC
- 3-nitro-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzamide
- English name
- Benzamide, 3-nitro-4-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-
- Molecular formula
- C18H17F3N4O3
- Molecular weight
- 394.35
Names & synonyms
3-Nitro-4-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]benzamide762250-79-3DTXSID501171263AKOS034156638AB00441999-02Z312576853-nitro-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}benzamideBenzamide, 3-nitro-4-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-
Database identifiers
- CAS
762250-79-3- PubChem CID
- 3604633
- DTXSID
DTXSID501171263
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 95.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 575
Physicochemical properties
- Boiling point
- 533.943 · 533.943±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.403 · 1.403±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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