Benzamide, N-(((4-(cyanomethyl)phenyl)amino)carbonyl)-2,6-difluoro-
Basic information
- CAS
90593-85-4- Standard SMILES
N#CCc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1- InChIKey
WJBVZHOWTZOHBO-UHFFFAOYSA-N- Molecular formula
- C16H11F2N3O2
- Average molar mass
- 315.27 g/mol
- Monoisotopic mass
- 315.08193293
Names & identifiers
- Preferred name
- Benzamide, N-(((4-(cyanomethyl)phenyl)amino)carbonyl)-2,6-difluoro-
- IUPAC
- N-[[4-(cyanomethyl)phenyl]carbamoyl]-2,6-difluorobenzamide
Names & synonyms
90593-85-4Benzamide, N-(((4-(cyanomethyl)phenyl)amino)carbonyl)-2,6-difluoro-DTXSID30920308N-{[4-(Cyanomethyl)phenyl]carbamoyl}-2,6-difluorobenzene-1-carboximidic acid
Database identifiers
- CAS
90593-85-4- PubChem CID
- 176512
- DTXSID
DTXSID30920308- Nikkaji
- J481.185B
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 82 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 473
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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