N-(2,4-difluorophenyl)-2-oxo-3H-1-benzothiophene-3-carboxamide

C15H9F2NO2S — CID 13037182

IUPACN-(2,4-difluorophenyl)-2-oxo-3H-1-benzothiophene-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)C1C(=O)Sc2ccccc21
InChIInChI=1S/C15H9F2NO2S/c16-8-5-6-11(10(17)7-8)18-14(19)13-9-3-1-2-4-12(9)21-15(13)20/h1-7,13H,(H,18,19)
InChIKeyVVORKHYOLSMZMW-UHFFFAOYSA-N
MW305.31 g/mol
LogP3.32
Rot. Bonds2

About N-(2,4-difluorophenyl)-2-oxo-3H-1-benzothiophene-3-carboxamide

N-(2,4-difluorophenyl)-2-oxo-3H-1-benzothiophene-3-carboxamide (PubChem CID 13037182) has the molecular formula C15H9F2NO2S and a molecular weight of 305.31 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-oxo-3H-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-oxo-3H-1-benzothiophene-3-carboxamide
PubChem CID13037182
Molecular FormulaC15H9F2NO2S
Molecular Weight305.31 g/mol
Exact Mass305.03
IUPAC NameN-(2,4-difluorophenyl)-2-oxo-3H-1-benzothiophene-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)C1C(=O)Sc2ccccc21
InChIInChI=1S/C15H9F2NO2S/c16-8-5-6-11(10(17)7-8)18-14(19)13-9-3-1-2-4-12(9)21-15(13)20/h1-7,13H,(H,18,19)
InChIKeyVVORKHYOLSMZMW-UHFFFAOYSA-N
XLogP3.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-difluorophenyl)-16-oxo-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaene-15-carboxamide
CID 14460008
1-N,2-N-bis(2,4-difluorophenyl)cyclopropane-1,2-dicarboxamide
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CID 65260739
N-(2,4-difluorophenyl)-3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carboxamide
CID 51107848
1-N,2-N-bis(2,4-difluorophenyl)benzene-1,2-dicarboxamide
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1-(2,4-difluorophenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 24819108
N-(2,4-difluorophenyl)-1-ethyl-5-oxo-3-phenyl-4H-pyrazole-4-carboxamide
CID 167845210
N-(2-bromo-4-fluorophenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 78993536
3-chloro-N-(2-fluoro-4-methylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-oxo-3H-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-oxo-3H-1-benzothiophene-3-carboxamide (CID 13037182) is N-(2,4-difluorophenyl)-2-oxo-3H-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-oxo-3H-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-oxo-3H-1-benzothiophene-3-carboxamide is O=C(Nc1ccc(F)cc1F)C1C(=O)Sc2ccccc21.
What is the InChIKey of N-(2,4-difluorophenyl)-2-oxo-3H-1-benzothiophene-3-carboxamide?
The InChIKey is VVORKHYOLSMZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2NO2S/c16-8-5-6-11(10(17)7-8)18-14(19)13-9-3-1-2-4-12(9)21-15(13)20/h1-7,13H,(H,18,19).
What are the key properties of N-(2,4-difluorophenyl)-2-oxo-3H-1-benzothiophene-3-carboxamide?
N-(2,4-difluorophenyl)-2-oxo-3H-1-benzothiophene-3-carboxamide has a molecular weight of 305.31 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-oxo-3H-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 13037182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).