Basic information
- Standard SMILES
N#Cc1cc(F)c(C(=O)Nc2ccnc(Br)c2)c(Cl)c1- InChIKey
UJYOUUUCXOKYAD-UHFFFAOYSA-N- Molecular formula
- C13H6BrClFN3O
- Average molar mass
- 354.56 g/mol
Names & identifiers
- Preferred name
- N-(2-bromopyridin-4-yl)-2-chloro-4-cyano-6-fluorobenzamide
- IUPAC
- N-(2-bromo-4-pyridinyl)-2-chloro-4-cyano-6-fluorobenzamide
Names & synonyms
SCHEMBL1706239UJYOUUUCXOKYAD-UHFFFAOYSA-NN-(2-bromopyridin-4-yl)-2-chloro-4-cyano-6-fluorobenzamide
Database identifiers
- PubChem CID
- 86648964
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 65.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 416
Related reactions
2 records
Compound notes
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