N-(2-((4-Chlorophenyl)sulfanyl)ethyl)-4-fluorobenzenecarboxamide
Basic information
- CAS
338411-66-8- Standard SMILES
O=C(NCCSc1ccc(Cl)cc1)c1ccc(F)cc1- InChIKey
ILGYABCFEXHACB-UHFFFAOYSA-N- Molecular formula
- C15H13ClFNOS
- Average molar mass
- 309.8 g/mol
- Monoisotopic mass
- 309.0390411
Names & identifiers
- Preferred name
- N-(2-((4-Chlorophenyl)sulfanyl)ethyl)-4-fluorobenzenecarboxamide
- IUPAC
- N-[2-(4-chlorophenyl)sulfanylethyl]-4-fluorobenzamide
- English name
- N-(2-[(4-CHLOROPHENYL)SULFANYL]ETHYL)-4-FLUOROBENZENECARBOXAMIDE
- Molecular formula
- C15H13ClFNOS
- Molecular weight
- 309.79
Names & synonyms
338411-66-8N-{2-[(4-chlorophenyl)sulfanyl]ethyl}-4-fluorobenzamideN-(2-((4-Chlorophenyl)sulfanyl)ethyl)-4-fluorobenzenecarboxamideN-[2-(4-chlorophenyl)sulfanylethyl]-4-fluorobenzamideDTXSID701225234AKOS0050881753J-610SN-[2-[(4-Chlorophenyl)thio]ethyl]-4-fluorobenzamideBenzamide, N-[2-[(4-chlorophenyl)thio]ethyl]-4-fluoro-N-(2-[(4-CHLOROPHENYL)SULFANYL]ETHYL)-4-FLUOROBENZENECARBOXAMIDE
Database identifiers
- CAS
338411-66-8- PubChem CID
- 3734286
- DTXSID
DTXSID701225234
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 302
Physicochemical properties
- Boiling point
- 479.5 · 479.5±40.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- 14.03 · 14.03±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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