Basic information
- CAS
100279-41-2- Standard SMILES
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(SC(F)(F)C(F)Cl)c(Cl)c1Cl- InChIKey
SKEPFBUAOCDXAM-UHFFFAOYSA-N- Molecular formula
- C16H8Cl3F5N2O2S
- Average molar mass
- 493.7 g/mol
- Monoisotopic mass
- 491.929223
Names & identifiers
- Preferred name
- N-((2,3-Dichloro-4-(2-chloro-1,1,2-trifluoroethyl)thiophenyl)carbamoyl)-2,6-difluorobenzamide
- IUPAC
- N-[[2,3-dichloro-4-(2-chloro-1,1,2-trifluoroethyl)sulfanylphenyl]carbamoyl]-2,6-difluorobenzamide
Names & synonyms
100279-41-2N-((2,3-Dichloro-4-(2-chloro-1,1,2-trifluoroethyl)thiophenyl)carbamoyl)-2,6-difluorobenzamideN-[[2,3-dichloro-4-(2-chloro-1,1,2-trifluoroethyl)sulfanylphenyl]carbamoyl]-2,6-difluorobenzamideCHEMBL2287622DTXSID80905322Benzamide, N-[[[2,3-dichloro-4-[(2-chloro-1,1,2-trifluoroethyl)thio]phenyl]amino]carbonyl]-2,6-difluoro-N-[({2,3-Dichloro-4-[(2-chloro-1,1,2-trifluoroethyl)sulfanyl]phenyl}imino)(hydroxy)methyl]-2,6-difluorobenzene-1-carboximidic acid
Database identifiers
- CAS
100279-41-2- PubChem CID
- 180802
- DTXSID
DTXSID80905322- ChEMBL
CHEMBL2287622
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 83.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 599
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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