Basic information
- CAS
102587-43-9- Standard SMILES
N#Cc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1- InChIKey
CQSDVKTXNIHWHW-UHFFFAOYSA-N- Molecular formula
- C14H8Cl2N2O
- Average molar mass
- 291.1 g/mol
- Monoisotopic mass
- 290.0013683
Names & identifiers
- Preferred name
- 4-cyano-N-(3,4-dichlorophenyl)benzamide
- IUPAC
- 4-cyano-N-(3,4-dichlorophenyl)benzamide
Names & synonyms
4-cyano-N-(3,4-dichlorophenyl)benzamideDTXSID401278939AKOS000199500102587-43-9Z28128475
Database identifiers
- CAS
102587-43-9- PubChem CID
- 2467981
- DTXSID
DTXSID401278939
Properties
Computed structural properties
- XLogP
- 4.1
- 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
- 371
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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