N-{4-chloro-2-fluoro-5-[(5-nitropyridin-2-yl)oxy]phenyl}-2,2,2-trifluoroacetamide
Basic information
- Standard SMILES
O=C(Nc1cc(Oc2ccc([N+](=O)[O-])cn2)c(Cl)cc1F)C(F)(F)F- InChIKey
OIAORPUACBVJBJ-UHFFFAOYSA-N- Molecular formula
- C13H6ClF4N3O4
- Average molar mass
- 379.65 g/mol
Names & identifiers
- Preferred name
- N-{4-chloro-2-fluoro-5-[(5-nitropyridin-2-yl)oxy]phenyl}-2,2,2-trifluoroacetamide
- IUPAC
- N-[4-chloro-2-fluoro-5-[(5-nitro-2-pyridinyl)oxy]phenyl]-2,2,2-trifluoroacetamide
Names & synonyms
N-{4-chloro-2-fluoro-5-[(5-nitropyridin-2-yl)oxy]phenyl}-2,2,2-trifluoroacetamideSCHEMBL2857702
Database identifiers
- PubChem CID
- 86646017
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 97 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 505
Related reactions
2 records
Compound notes
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