Basic information
- Standard SMILES
CC(=O)c1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3F)CC2)c(F)c1- InChIKey
OSGHZSYTAFFZCF-UHFFFAOYSA-N- Molecular formula
- C19H17F2N3O4
- Average molar mass
- 389.4 g/mol
Names & identifiers
- Preferred name
- 1-{3-Fluoro-4-[4-(2-fluoro-5-nitrobenzoyl)piperazino]phenyl}-1-ethanone
- IUPAC
- 1-[3-fluoro-4-[4-(2-fluoro-5-nitrobenzoyl)piperazin-1-yl]phenyl]ethanone
Names & synonyms
1-{3-FLUORO-4-[4-(2-FLUORO-5-NITROBENZOYL)PIPERAZINO]PHENYL}-1-ETHANONESCHEMBL3927563OSGHZSYTAFFZCF-UHFFFAOYSA-NMFCD01655041AKOS001606642CCG-335867EU-0003772AB00097054-01SR-01000422004SR-01000422004-11-{3-fluoro-4-[4-(2-fluoro-5-nitrobenzoyl)-1-piperazinyl]phenyl}ethanone1-{3-Fluoro-4-[4-(2-fluoro-5-nitro-benzoyl)-piperazin-1-yl]-phenyl}-ethanone
Database identifiers
- PubChem CID
- 1362267
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 86.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 606
Related reactions
8 records
Compound notes
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