N-((2,3-Dichloro-4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl)carbamoyl)-2,6-difluorobenzamide
Basic information
- CAS
100279-22-9- Standard SMILES
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(SC(F)(F)C(F)F)c(Cl)c1Cl- InChIKey
YQJMTROLIXZXMD-UHFFFAOYSA-N- Molecular formula
- C16H8Cl2F6N2O2S
- Average molar mass
- 477.2 g/mol
- Monoisotopic mass
- 475.958773
Names & identifiers
- Preferred name
- N-((2,3-Dichloro-4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl)carbamoyl)-2,6-difluorobenzamide
- IUPAC
- N-[[2,3-dichloro-4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide
Names & synonyms
100279-22-9N-((2,3-Dichloro-4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl)carbamoyl)-2,6-difluorobenzamideCHEMBL2287598DTXSID30143090Benzamide, N-[[[2,3-dichloro-4-[(1,1,2,2-tetrafluoroethyl)thio]phenyl]amino]carbonyl]-2,6-difluoro-N-({2,3-Dichloro-4-[(1,1,2,2-tetrafluoroethyl)sulfanyl]phenyl}carbamoyl)-2,6-difluorobenzamide
Database identifiers
- CAS
100279-22-9- PubChem CID
- 180799
- DTXSID
DTXSID30143090- ChEMBL
CHEMBL2287598- Nikkaji
- J468.004I
Properties
Computed structural properties
- XLogP
- 6.5
- 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
- 596
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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