Basic information
- Standard SMILES
N#CC(=Cc1cc(O)c(O)c(F)c1)C(=O)Nc1cccc(Cl)c1- InChIKey
FMUSZGXEHIWUOT-UHFFFAOYSA-N- Molecular formula
- C16H10ClFN2O3
- Average molar mass
- 332.71 g/mol
Names & identifiers
- Preferred name
- N-(3-chlorophenyl)-2-cyano-3-(3-fluoro-4, 5-dihydroxyphenyl) propenamide
- IUPAC
- N-(3-chlorophenyl)-2-cyano-3-(3-fluoro-4,5-dihydroxyphenyl)prop-2-enamide
Names & synonyms
SCHEMBL8996015FMUSZGXEHIWUOT-UHFFFAOYSA-NN-(3-chlorophenyl)-2-cyano-3-(3-fluoro-4, 5-dihydroxyphenyl) propenamide
Database identifiers
- PubChem CID
- 53807593
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 93.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 519
Related reactions
1 records
Compound notes
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