Basic information
- Standard SMILES
CN(CC(CC=O)c1ccc(F)cc1)C(=O)c1cc(Br)cc(Br)c1- InChIKey
DDRUQVHZZJJNQS-UHFFFAOYSA-N- Molecular formula
- C18H16Br2FNO2
- Average molar mass
- 457.1 g/mol
- Monoisotopic mass
- 454.95318
Names & identifiers
- Preferred name
- 3,5-dibromo-N-[2-(4-fluorophenyl)-4-oxobutyl]-N-methylbenzamide
- IUPAC
- 3,5-dibromo-N-[2-(4-fluorophenyl)-4-oxobutyl]-N-methylbenzamide
Names & synonyms
SCHEMBL6002099
Database identifiers
- PubChem CID
- 72390797
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 419
Related reactions
1 records
Compound notes
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