Basic information
- Standard SMILES
CC(C)(C#N)c1cccc(C(=O)Nc2cc(Oc3ccc([N+](=O)[O-])cn3)c(Cl)cc2F)c1- InChIKey
JQCFWJDEZPBNOP-UHFFFAOYSA-N- Molecular formula
- C22H16ClFN4O4
- Average molar mass
- 454.8 g/mol
- Monoisotopic mass
- 454.0844109
Names & identifiers
- Preferred name
- N-{4-chloro-2-fluoro-5-[(5-nitropyridin-2-yl)oxy]phenyl}-3-(1-cyano-1-methylethyl)benzamide
- IUPAC
- N-[4-chloro-2-fluoro-5-[(5-nitro-2-pyridinyl)oxy]phenyl]-3-(2-cyanopropan-2-yl)benzamide
Names & synonyms
SCHEMBL2859800JQCFWJDEZPBNOP-UHFFFAOYSA-NN-{4-chloro-2-fluoro-5-[(5-nitropyridin-2-yl)oxy]phenyl}-3-(1-cyano-1-methylethyl)benzamide
Database identifiers
- PubChem CID
- 68420111
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 739
Related reactions
4 records
Compound notes
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