3-chloro-N-(4-oxo-1H-pyridin-3-yl)-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide

C15H8ClF3N2O2S — CID 56797048

IUPAC3-chloro-N-(4-oxo-1H-pyridin-3-yl)-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1c[nH]ccc1=O)c1sc2cc(C(F)(F)F)ccc2c1Cl
InChIInChI=1S/C15H8ClF3N2O2S/c16-12-8-2-1-7(15(17,18)19)5-11(8)24-13(12)14(23)21-9-6-20-4-3-10(9)22/h1-6H,(H,20,22)(H,21,23)
InChIKeyKYLTYQJEBYDRGD-UHFFFAOYSA-N
MW372.76 g/mol
LogP4.51
Rot. Bonds2

About 3-chloro-N-(4-oxo-1H-pyridin-3-yl)-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide

3-chloro-N-(4-oxo-1H-pyridin-3-yl)-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide (PubChem CID 56797048) has the molecular formula C15H8ClF3N2O2S and a molecular weight of 372.76 g/mol. Its IUPAC name is 3-chloro-N-(4-oxo-1H-pyridin-3-yl)-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(4-oxo-1H-pyridin-3-yl)-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide
PubChem CID56797048
Molecular FormulaC15H8ClF3N2O2S
Molecular Weight372.76 g/mol
Exact Mass371.99
IUPAC Name3-chloro-N-(4-oxo-1H-pyridin-3-yl)-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1c[nH]ccc1=O)c1sc2cc(C(F)(F)F)ccc2c1Cl
InChIInChI=1S/C15H8ClF3N2O2S/c16-12-8-2-1-7(15(17,18)19)5-11(8)24-13(12)14(23)21-9-6-20-4-3-10(9)22/h1-6H,(H,20,22)(H,21,23)
InChIKeyKYLTYQJEBYDRGD-UHFFFAOYSA-N
XLogP4.51
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.76
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(1-cyclopropylethyl)-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide
CID 71897463
dimethyl (2S)-2-[[3-chloro-6-(trifluoromethyl)-1-benzothiophene-2-carbonyl]amino]butanedioate
CID 99790836
3-chloro-N-(2,5-difluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 3424498
3-chloro-6-fluoro-N-(5-fluoro-2-methylphenyl)-1-benzothiophene-2-carboxamide
CID 9097794
3-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide
CID 167968392
3,6-dichloro-N-(2,4-dichlorophenyl)-1-benzothiophene-2-carboxamide
CID 3618411
4-chloro-N-(4-oxo-1H-pyridin-3-yl)benzamide
CID 47176378
1-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]benzo[e][1]benzothiole-2-carboxamide
CID 19164339
3-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide
CID 71897034
3-chloro-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide
CID 97009690
3-chloro-6-fluoro-N-(2-fluoro-5-methylphenyl)-1-benzothiophene-2-carboxamide
CID 16546479
3,6-dichloro-N-(2-fluoro-4-iodophenyl)-1-benzothiophene-2-carboxamide
CID 2214579

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-oxo-1H-pyridin-3-yl)-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(4-oxo-1H-pyridin-3-yl)-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide (CID 56797048) is 3-chloro-N-(4-oxo-1H-pyridin-3-yl)-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(4-oxo-1H-pyridin-3-yl)-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(4-oxo-1H-pyridin-3-yl)-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide is O=C(Nc1c[nH]ccc1=O)c1sc2cc(C(F)(F)F)ccc2c1Cl.
What is the InChIKey of 3-chloro-N-(4-oxo-1H-pyridin-3-yl)-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is KYLTYQJEBYDRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF3N2O2S/c16-12-8-2-1-7(15(17,18)19)5-11(8)24-13(12)14(23)21-9-6-20-4-3-10(9)22/h1-6H,(H,20,22)(H,21,23).
What are the key properties of 3-chloro-N-(4-oxo-1H-pyridin-3-yl)-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide?
3-chloro-N-(4-oxo-1H-pyridin-3-yl)-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 372.76 g/mol, XLogP of 4.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-oxo-1H-pyridin-3-yl)-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 56797048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).