3-chloro-6-fluoro-N-methyl-N-(pyridin-2-ylmethyl)-1-benzothiophene-2-carboxamide

C16H12ClFN2OS — CID 71888961

IUPAC3-chloro-6-fluoro-N-methyl-N-(pyridin-2-ylmethyl)-1-benzothiophene-2-carboxamide
SMILESCN(Cc1ccccn1)C(=O)c1sc2cc(F)ccc2c1Cl
InChIInChI=1S/C16H12ClFN2OS/c1-20(9-11-4-2-3-7-19-11)16(21)15-14(17)12-6-5-10(18)8-13(12)22-15/h2-8H,9H2,1H3
InChIKeyNSTLOPIYTPXCMZ-UHFFFAOYSA-N
MW334.80 g/mol
LogP4.36
Rot. Bonds3

About 3-chloro-6-fluoro-N-methyl-N-(pyridin-2-ylmethyl)-1-benzothiophene-2-carboxamide

3-chloro-6-fluoro-N-methyl-N-(pyridin-2-ylmethyl)-1-benzothiophene-2-carboxamide (PubChem CID 71888961) has the molecular formula C16H12ClFN2OS and a molecular weight of 334.80 g/mol. Its IUPAC name is 3-chloro-6-fluoro-N-methyl-N-(pyridin-2-ylmethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-fluoro-N-methyl-N-(pyridin-2-ylmethyl)-1-benzothiophene-2-carboxamide
PubChem CID71888961
Molecular FormulaC16H12ClFN2OS
Molecular Weight334.80 g/mol
Exact Mass334.03
IUPAC Name3-chloro-6-fluoro-N-methyl-N-(pyridin-2-ylmethyl)-1-benzothiophene-2-carboxamide
SMILESCN(Cc1ccccn1)C(=O)c1sc2cc(F)ccc2c1Cl
InChIInChI=1S/C16H12ClFN2OS/c1-20(9-11-4-2-3-7-19-11)16(21)15-14(17)12-6-5-10(18)8-13(12)22-15/h2-8H,9H2,1H3
InChIKeyNSTLOPIYTPXCMZ-UHFFFAOYSA-N
XLogP4.36
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-6-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methyl-1-benzothiophene-2-carboxamide
CID 63940239
4-chloro-2-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 86824171
3-chloro-6-fluoro-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1-benzothiophene-2-carboxamide
CID 27227143
3-chloro-N-(2,4-dimethylphenyl)-N-(pyridin-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 71115988
2-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)-methylamino]-2-methylpropanoic acid
CID 62818654
N-[3-[benzyl(methyl)amino]propyl]-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide
CID 41306578
3-amino-2,5-difluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 107120541
3-chloro-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 41056330
4-amino-2-[ethyl(methyl)amino]-N-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116670237
(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)-[3-(dimethylamino)propyl]-phenylazanium chloride
CID 10938856
CID 69258575
CID 69258575
5-chloro-2-hydroxy-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 43565718

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-fluoro-N-methyl-N-(pyridin-2-ylmethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-6-fluoro-N-methyl-N-(pyridin-2-ylmethyl)-1-benzothiophene-2-carboxamide (CID 71888961) is 3-chloro-6-fluoro-N-methyl-N-(pyridin-2-ylmethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-6-fluoro-N-methyl-N-(pyridin-2-ylmethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-6-fluoro-N-methyl-N-(pyridin-2-ylmethyl)-1-benzothiophene-2-carboxamide is CN(Cc1ccccn1)C(=O)c1sc2cc(F)ccc2c1Cl.
What is the InChIKey of 3-chloro-6-fluoro-N-methyl-N-(pyridin-2-ylmethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is NSTLOPIYTPXCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2OS/c1-20(9-11-4-2-3-7-19-11)16(21)15-14(17)12-6-5-10(18)8-13(12)22-15/h2-8H,9H2,1H3.
What are the key properties of 3-chloro-6-fluoro-N-methyl-N-(pyridin-2-ylmethyl)-1-benzothiophene-2-carboxamide?
3-chloro-6-fluoro-N-methyl-N-(pyridin-2-ylmethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 334.80 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-fluoro-N-methyl-N-(pyridin-2-ylmethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 71888961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).