3-chloro-4-fluoro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide

C14H8ClFN2OS — CID 1246282

IUPAC3-chloro-4-fluoro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cccnc1)c1sc2cccc(F)c2c1Cl
InChIInChI=1S/C14H8ClFN2OS/c15-12-11-9(16)4-1-5-10(11)20-13(12)14(19)18-8-3-2-6-17-7-8/h1-7H,(H,18,19)
InChIKeyRLHIURWBOSZJQC-UHFFFAOYSA-N
MW306.75 g/mol
LogP4.34
Rot. Bonds2

About 3-chloro-4-fluoro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide

3-chloro-4-fluoro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide (PubChem CID 1246282) has the molecular formula C14H8ClFN2OS and a molecular weight of 306.75 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide
PubChem CID1246282
Molecular FormulaC14H8ClFN2OS
Molecular Weight306.75 g/mol
Exact Mass306.00
IUPAC Name3-chloro-4-fluoro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cccnc1)c1sc2cccc(F)c2c1Cl
InChIInChI=1S/C14H8ClFN2OS/c15-12-11-9(16)4-1-5-10(11)20-13(12)14(19)18-8-3-2-6-17-7-8/h1-7H,(H,18,19)
InChIKeyRLHIURWBOSZJQC-UHFFFAOYSA-N
XLogP4.34
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Sag1.3
CID 5284330
3-chloro-N-pyridin-4-yl-1-benzothiophene-2-carboxamide
CID 1080677
3-Chloro-4,7-Difluoro-N-[trans-4-(Methylamino)cyclohexyl]-N-[3-(Pyridin-4-Yl)benzyl]-1-Benzothiophene-2-Carboxamide
CID 44195701
3-chloro-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 673385
3-chloro-N-(pyridin-2-yl)-1-benzothiophene-2-carboxamide
CID 805019
3-chloro-6-methyl-N-(3-pyridinyl)-1-benzothiophene-2-carboxamide
CID 841647
3-chloro-4-fluoro-N-pyridin-2-yl-1-benzothiophene-2-carboxamide
CID 1244206
3-chloro-N-(3-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
CID 4557860
3-chloro-6-methyl-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 832043
3-chloro-N-[4-methyl-2-(pyridin-3-ylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 18376940
N-(6-chloro-3-pyridinyl)-3-fluoro-4-(2-methylpropylsulfanyl)benzamide
CID 18378796
Benzo[b]thiophen-2-yl(4-fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)methanone
CID 42606337

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-4-fluoro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide (CID 1246282) is 3-chloro-4-fluoro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-4-fluoro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide is O=C(Nc1cccnc1)c1sc2cccc(F)c2c1Cl.
What is the InChIKey of 3-chloro-4-fluoro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide?
The InChIKey is RLHIURWBOSZJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClFN2OS/c15-12-11-9(16)4-1-5-10(11)20-13(12)14(19)18-8-3-2-6-17-7-8/h1-7H,(H,18,19).
What are the key properties of 3-chloro-4-fluoro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide?
3-chloro-4-fluoro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide has a molecular weight of 306.75 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 1246282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).