Basic information
- CAS
314054-96-1- Standard SMILES
O=C(NCc1ccco1)c1sc2cc(F)ccc2c1Cl- InChIKey
XJABITLESQDJQJ-UHFFFAOYSA-N- Molecular formula
- C14H9ClFNO2S
- Average molar mass
- 309.7 g/mol
Names & identifiers
- Preferred name
- 3-chloro-6-fluoro-N-(furan-2-ylmethyl)-1-benzothiophene-2-carboxamide
- IUPAC
- 3-chloro-6-fluoro-N-(furan-2-ylmethyl)-1-benzothiophene-2-carboxamide
- English name
- 3-chloro-6-fluoro-N-(2-furylmethyl)-1-benzothiophene-2-carboxamide
- Molecular formula
- C14H9ClFNO2S
- Molecular weight
- 309.74
Names & synonyms
3-chloro-6-fluoro-N-(furan-2-ylmethyl)-1-benzothiophene-2-carboxamide3-chloro-6-fluoro-N-(2-furylmethyl)-1-benzothiophene-2-carboxamideMLS000525689Oprea1_226792Oprea1_318929CBDivE_008195CHEMBL1543986HMS2492F21STK450170AKOS0005769933-Chloro-6-fluoro-benzo[b]thiophene-2-carboxylic acid (furan-2-ylmethyl)-amideSMR000116163
Show more names
Benzo[b]thiophene-2-carboxamide, 3-chloro-6-fluoro-N-(2-furanylmethyl)-
AB00076555-01AG-690/36005056SR-01000412365SR-01000412365-13-CHLORO-6-FLUORO-N-[(FURAN-2-YL)METHYL]-1-BENZOTHIOPHENE-2-CARBOXAMIDE314054-96-1
Database identifiers
- CAS
314054-96-1- ChEMBL
CHEMBL1543986
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 70.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 373
Physicochemical properties
- Boiling point
- 500.3 · 500.3±50.0 °C(Predicted)
- Density
- 1.453 · 1.453±0.06 g/cm3(Predicted)
- pka
- 11.89 · 11.89±0.46(Predicted)
Chemistry & industry
Suppliers2 total
PHARMEKS Ltd.[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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