(2-Chloro-4,5-difluorophenyl)[4-(2-fluoro-4-nitrophenyl)piperazin-1-yl]methanone
Basic information
- CAS
330636-43-6- Standard SMILES
O=C(c1cc(F)c(F)cc1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2F)CC1- InChIKey
DQUUVOHZEARTOZ-UHFFFAOYSA-N- Molecular formula
- C17H13ClF3N3O3
- Average molar mass
- 399.7 g/mol
- Monoisotopic mass
- 399.0597535
Names & identifiers
- Preferred name
- (2-Chloro-4,5-difluorophenyl)[4-(2-fluoro-4-nitrophenyl)piperazin-1-yl]methanone
- IUPAC
- (2-chloro-4,5-difluorophenyl)-[4-(2-fluoro-4-nitrophenyl)piperazin-1-yl]methanone
Names & synonyms
330636-43-6(2-chloro-4,5-difluorophenyl)[4-(2-fluoro-4-nitrophenyl)piperazin-1-yl]methanoneCambridge id 5789683Oprea1_607775DTXSID901135170STK7601781-(2-chloro-4,5-difluorobenzoyl)-4-(2-fluoro-4-nitrophenyl)piperazineAKOS001606607(2-chloro-4,5-difluorophenyl)-[4-(2-fluoro-4-nitrophenyl)piperazin-1-yl]methanoneAB00096973-01SR-01000421998SR-01000421998-1
Show more names
(2-Chloro-4,5-difluorophenyl)[4-(2-fluoro-4-nitrophenyl)-1-piperazinyl]methanone
Database identifiers
- CAS
330636-43-6- PubChem CID
- 2868622
- DTXSID
DTXSID901135170
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 559
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Compound notes
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