4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide

C15H9F2NOS — CID 36679235

IUPAC4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccccc1F)c1cc2c(F)cccc2s1
InChIInChI=1S/C15H9F2NOS/c16-10-5-3-7-13-9(10)8-14(20-13)15(19)18-12-6-2-1-4-11(12)17/h1-8H,(H,18,19)
InChIKeyUXYMWHKRGZONCA-UHFFFAOYSA-N
MW289.31 g/mol
LogP4.43
Rot. Bonds2

About 4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide

4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide (PubChem CID 36679235) has the molecular formula C15H9F2NOS and a molecular weight of 289.31 g/mol. Its IUPAC name is 4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide
PubChem CID36679235
Molecular FormulaC15H9F2NOS
Molecular Weight289.31 g/mol
Exact Mass289.04
IUPAC Name4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccccc1F)c1cc2c(F)cccc2s1
InChIInChI=1S/C15H9F2NOS/c16-10-5-3-7-13-9(10)8-14(20-13)15(19)18-12-6-2-1-4-11(12)17/h1-8H,(H,18,19)
InChIKeyUXYMWHKRGZONCA-UHFFFAOYSA-N
XLogP4.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chlorophenyl)-4-fluoro-1-benzothiophene-2-carboxamide
CID 31495952
4-fluoro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide
CID 31509000
4-fluoro-N-(2-fluoro-5-methylsulfonylphenyl)-1-benzothiophene-2-carboxamide
CID 31931032
4-fluoro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 34746636
4-fluoro-N-(4-phenoxy-3-pyridinyl)-1-benzothiophene-2-carboxamide
CID 51129808
N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 46797275
4-fluoro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide
CID 17396124
N-[5-(ethylcarbamoyl)-2-methylphenyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 55782825
N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-fluoro-1-benzothiophene-2-carboxamide
CID 46650848
N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 30664998
4-fluoro-1-benzothiophene-2-carbonyl chloride
CID 119087029
N-(2-fluorophenyl)-5-nitro-1-benzothiophene-2-carboxamide
CID 17405213

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide (CID 36679235) is 4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide is O=C(Nc1ccccc1F)c1cc2c(F)cccc2s1.
What is the InChIKey of 4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide?
The InChIKey is UXYMWHKRGZONCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2NOS/c16-10-5-3-7-13-9(10)8-14(20-13)15(19)18-12-6-2-1-4-11(12)17/h1-8H,(H,18,19).
What are the key properties of 4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide?
4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide has a molecular weight of 289.31 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 36679235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).