3-chloro-6-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide

C11H9ClFNO2S — CID 2374913

IUPAC3-chloro-6-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
SMILESO=C(NCCO)c1sc2cc(F)ccc2c1Cl
InChIInChI=1S/C11H9ClFNO2S/c12-9-7-2-1-6(13)5-8(7)17-10(9)11(16)14-3-4-15/h1-2,5,15H,3-4H2,(H,14,16)
InChIKeyVGGIFLVBENCHRS-UHFFFAOYSA-N
MW273.72 g/mol
LogP2.42
Rot. Bonds3

About 3-chloro-6-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide

3-chloro-6-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide (PubChem CID 2374913) has the molecular formula C11H9ClFNO2S and a molecular weight of 273.72 g/mol. Its IUPAC name is 3-chloro-6-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
PubChem CID2374913
Molecular FormulaC11H9ClFNO2S
Molecular Weight273.72 g/mol
Exact Mass273.00
IUPAC Name3-chloro-6-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
SMILESO=C(NCCO)c1sc2cc(F)ccc2c1Cl
InChIInChI=1S/C11H9ClFNO2S/c12-9-7-2-1-6(13)5-8(7)17-10(9)11(16)14-3-4-15/h1-2,5,15H,3-4H2,(H,14,16)
InChIKeyVGGIFLVBENCHRS-UHFFFAOYSA-N
XLogP2.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-6-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide (CID 2374913) is 3-chloro-6-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-6-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-6-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide is O=C(NCCO)c1sc2cc(F)ccc2c1Cl.
What is the InChIKey of 3-chloro-6-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is VGGIFLVBENCHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNO2S/c12-9-7-2-1-6(13)5-8(7)17-10(9)11(16)14-3-4-15/h1-2,5,15H,3-4H2,(H,14,16).
What are the key properties of 3-chloro-6-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide?
3-chloro-6-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 273.72 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 2374913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).