Basic information
- CAS
349401-85-0- Standard SMILES
N#Cc1ccc(NC(=O)c2cccc(Br)c2)cc1Cl- InChIKey
BEJFCZKSANVYJJ-UHFFFAOYSA-N- Molecular formula
- C14H8BrClN2O
- Average molar mass
- 335.58 g/mol
- Monoisotopic mass
- 333.95085
Names & identifiers
- Preferred name
- 3-bromo-N-(3-chloro-4-cyanophenyl)benzamide
- IUPAC
- 3-bromo-N-(3-chloro-4-cyanophenyl)benzamide
Names & synonyms
3-bromo-N-(3-chloro-4-cyanophenyl)benzamide349401-85-0DTXSID001260368STK070946AKOS003262434ST043438AB00102752-01SR-01000228185SR-01000228185-1(3-bromophenyl)-N-(3-chloro-4-cyanophenyl)carboxamide
Database identifiers
- CAS
349401-85-0- PubChem CID
- 669686
- DTXSID
DTXSID001260368
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 381
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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