N-(4-chloro-2-pyridinyl)-6-fluoro-1-benzothiophene-2-carboxamide

C14H8ClFN2OS — CID 115627252

IUPACN-(4-chloro-2-pyridinyl)-6-fluoro-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccn1)c1cc2ccc(F)cc2s1
InChIInChI=1S/C14H8ClFN2OS/c15-9-3-4-17-13(6-9)18-14(19)12-5-8-1-2-10(16)7-11(8)20-12/h1-7H,(H,17,18,19)
InChIKeyBGPLYGVYEXJNAD-UHFFFAOYSA-N
MW306.75 g/mol
LogP4.34
Rot. Bonds2

About N-(4-chloro-2-pyridinyl)-6-fluoro-1-benzothiophene-2-carboxamide

N-(4-chloro-2-pyridinyl)-6-fluoro-1-benzothiophene-2-carboxamide (PubChem CID 115627252) has the molecular formula C14H8ClFN2OS and a molecular weight of 306.75 g/mol. Its IUPAC name is N-(4-chloro-2-pyridinyl)-6-fluoro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyridinyl)-6-fluoro-1-benzothiophene-2-carboxamide
PubChem CID115627252
Molecular FormulaC14H8ClFN2OS
Molecular Weight306.75 g/mol
Exact Mass306.00
IUPAC NameN-(4-chloro-2-pyridinyl)-6-fluoro-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccn1)c1cc2ccc(F)cc2s1
InChIInChI=1S/C14H8ClFN2OS/c15-9-3-4-17-13(6-9)18-14(19)12-5-8-1-2-10(16)7-11(8)20-12/h1-7H,(H,17,18,19)
InChIKeyBGPLYGVYEXJNAD-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

N-(5-bromopyrazin-2-yl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 80502021
2-amino-N-(4-chloro-2-pyridinyl)-5-fluorobenzamide
CID 114052160
N-(2-amino-5-fluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 81105328
N-(2-bromophenyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 78910861
N-(2-amino-4-fluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 81115919
5-chloro-N-(4-chloro-2-pyridinyl)-2-fluorobenzamide
CID 113236117
N-(4-chloro-2-pyridinyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 108788196
N-(4-bromo-2-pyridinyl)-1-benzothiophene-2-carboxamide
CID 102674100
N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
CID 35029727
N-cyano-6-fluoro-1-benzothiophene-2-carboxamide
CID 81104871
2-(4-chlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanone
CID 81104798
N-(4-acetyl-1,3-thiazol-2-yl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 112723705

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyridinyl)-6-fluoro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(4-chloro-2-pyridinyl)-6-fluoro-1-benzothiophene-2-carboxamide (CID 115627252) is N-(4-chloro-2-pyridinyl)-6-fluoro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2-pyridinyl)-6-fluoro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(4-chloro-2-pyridinyl)-6-fluoro-1-benzothiophene-2-carboxamide is O=C(Nc1cc(Cl)ccn1)c1cc2ccc(F)cc2s1.
What is the InChIKey of N-(4-chloro-2-pyridinyl)-6-fluoro-1-benzothiophene-2-carboxamide?
The InChIKey is BGPLYGVYEXJNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClFN2OS/c15-9-3-4-17-13(6-9)18-14(19)12-5-8-1-2-10(16)7-11(8)20-12/h1-7H,(H,17,18,19).
What are the key properties of N-(4-chloro-2-pyridinyl)-6-fluoro-1-benzothiophene-2-carboxamide?
N-(4-chloro-2-pyridinyl)-6-fluoro-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 N-(4-chloro-2-pyridinyl)-6-fluoro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 115627252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).