N-(3,4-difluorophenyl)-4-fluorobenzamide
Completing data — refresh the page later to see the latest
Basic information
- CAS
349129-89-1- Standard SMILES
O=C(Nc1ccc(F)c(F)c1)c1ccc(F)cc1- InChIKey
HUPDXGFRLQHIIH-UHFFFAOYSA-N- Molecular formula
- C13H8F3NO
- Average molar mass
- 251.2 g/mol
- Monoisotopic mass
- 251.05579836
Names & identifiers
- Preferred name
- N-(3,4-difluorophenyl)-4-fluorobenzamide
- IUPAC
- N-(3,4-difluorophenyl)-4-fluorobenzamide
- English name
- N-(3,4-Difluorophenyl)-4-fluorobenzaMide, 97%
- Molecular formula
- C13H8F3NO
- Molecular weight
- 251.2
Names & synonyms
N-(3,4-difluorophenyl)-4-fluorobenzamide349129-89-1CHEMBL5281760AKOS001060914ST51045223N-(3,4-difluorophenyl)(4-fluorophenyl)carboxamideZ30847201Benzamide, N-(3,4-difluorophenyl)-4-fluoro-N-(3,4-Difluorophenyl)-4-fluorobenzaMide, 97%
Database identifiers
- CAS
349129-89-1- PubChem CID
- 2112007
- ChEMBL
CHEMBL5281760
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 292
Physicochemical properties
- Boiling point
- 253.6 · 253.6±40.0 °C(Predicted)
- Density
- 1.388 · 1.388±0.06 g/cm3(Predicted)
- pka
- 11.58 · 11.58±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…