N-((2-Chloro-4-(2-chloro-1,1,2-trifluoroethyl)thiophenyl)carbamoyl)-2,6-difluorobenzamide
Basic information
- CAS
100280-05-5- Standard SMILES
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(SC(F)(F)C(F)Cl)cc1Cl- InChIKey
VQXGNWBYRQGHJW-UHFFFAOYSA-N- Molecular formula
- C16H9Cl2F5N2O2S
- Average molar mass
- 459.2 g/mol
- Monoisotopic mass
- 457.9681949
Names & identifiers
- Preferred name
- N-((2-Chloro-4-(2-chloro-1,1,2-trifluoroethyl)thiophenyl)carbamoyl)-2,6-difluorobenzamide
- IUPAC
- N-[[2-chloro-4-(2-chloro-1,1,2-trifluoroethyl)sulfanylphenyl]carbamoyl]-2,6-difluorobenzamide
Names & synonyms
100280-05-5N-((2-Chloro-4-(2-chloro-1,1,2-trifluoroethyl)thiophenyl)carbamoyl)-2,6-difluorobenzamideCHEMBL2287608DTXSID80905327N-[({2-Chloro-4-[(2-chloro-1,1,2-trifluoroethyl)sulfanyl]phenyl}imino)(hydroxy)methyl]-2,6-difluorobenzene-1-carboximidic acid
Database identifiers
- CAS
100280-05-5- PubChem CID
- 180809
- DTXSID
DTXSID80905327- ChEMBL
CHEMBL2287608
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 83.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 567
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Compound notes
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