N-(2-chlorophenyl)-4-fluoro-1-benzothiophene-2-carboxamide

C15H9ClFNOS — CID 31495952

IUPACN-(2-chlorophenyl)-4-fluoro-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cc2c(F)cccc2s1
InChIInChI=1S/C15H9ClFNOS/c16-10-4-1-2-6-12(10)18-15(19)14-8-9-11(17)5-3-7-13(9)20-14/h1-8H,(H,18,19)
InChIKeyREBRFNKWUULARW-UHFFFAOYSA-N
MW305.76 g/mol
LogP4.95
Rot. Bonds2

About N-(2-chlorophenyl)-4-fluoro-1-benzothiophene-2-carboxamide

N-(2-chlorophenyl)-4-fluoro-1-benzothiophene-2-carboxamide (PubChem CID 31495952) has the molecular formula C15H9ClFNOS and a molecular weight of 305.76 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-fluoro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-fluoro-1-benzothiophene-2-carboxamide
PubChem CID31495952
Molecular FormulaC15H9ClFNOS
Molecular Weight305.76 g/mol
Exact Mass305.01
IUPAC NameN-(2-chlorophenyl)-4-fluoro-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cc2c(F)cccc2s1
InChIInChI=1S/C15H9ClFNOS/c16-10-4-1-2-6-12(10)18-15(19)14-8-9-11(17)5-3-7-13(9)20-14/h1-8H,(H,18,19)
InChIKeyREBRFNKWUULARW-UHFFFAOYSA-N
XLogP4.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 36679235
4-fluoro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide
CID 31509000
N-(2-chlorophenyl)-2-[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 43017589
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 55675672
4-fluoro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 34746636
N-(2-chlorophenyl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 8776857
4-fluoro-N-(2-fluoro-5-methylsulfonylphenyl)-1-benzothiophene-2-carboxamide
CID 31931032
N-[3-chloro-5-(methanesulfonamido)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 169144861
4-fluoro-1-benzothiophene-2-carbonyl chloride
CID 119087029
N-(2-chlorophenyl)-1-oxoisothiochromene-3-carboxamide
CID 17015288
4-fluoro-N-(4-phenoxy-3-pyridinyl)-1-benzothiophene-2-carboxamide
CID 51129808
N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 46797275

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-fluoro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-4-fluoro-1-benzothiophene-2-carboxamide (CID 31495952) is N-(2-chlorophenyl)-4-fluoro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-fluoro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-4-fluoro-1-benzothiophene-2-carboxamide is O=C(Nc1ccccc1Cl)c1cc2c(F)cccc2s1.
What is the InChIKey of N-(2-chlorophenyl)-4-fluoro-1-benzothiophene-2-carboxamide?
The InChIKey is REBRFNKWUULARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFNOS/c16-10-4-1-2-6-12(10)18-15(19)14-8-9-11(17)5-3-7-13(9)20-14/h1-8H,(H,18,19).
What are the key properties of N-(2-chlorophenyl)-4-fluoro-1-benzothiophene-2-carboxamide?
N-(2-chlorophenyl)-4-fluoro-1-benzothiophene-2-carboxamide has a molecular weight of 305.76 g/mol, XLogP of 4.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-fluoro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 31495952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).