N-((2,5-Dimethyl-4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide
Basic information
- CAS
100279-91-2- Standard SMILES
Cc1cc(SC(F)(F)C(F)F)c(C)cc1NC(=O)NC(=O)c1c(F)cccc1F- InChIKey
GHNBZKXBIWTEBO-UHFFFAOYSA-N- Molecular formula
- C18H14F6N2O2S
- Average molar mass
- 436.4 g/mol
- Monoisotopic mass
- 436.06801784
Names & identifiers
- Preferred name
- N-((2,5-Dimethyl-4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide
- IUPAC
- N-[[2,5-dimethyl-4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide
Names & synonyms
100279-91-2N-((2,5-Dimethyl-4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamideCHEMBL2287856DTXSID50143092N-((2,5-Dimethyl-4-(1,1,2,2-tetrafluoroethylthio)phenyl)carbamoyl)-2,6-difluorobenzamideBenzamide, N-[[[2,5-dimethyl-4-[(1,1,2,2-tetrafluoroethyl)thio]phenyl]amino]carbonyl]-2,6-difluoro-N-({2,5-Dimethyl-4-[(1,1,2,2-tetrafluoroethyl)sulfanyl]phenyl}carbamoyl)-2,6-difluorobenzamide
Database identifiers
- CAS
100279-91-2- PubChem CID
- 180804
- DTXSID
DTXSID50143092- ChEMBL
CHEMBL2287856- Nikkaji
- J468.001D
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 83.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 587
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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