N-(2-chlorophenyl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide

C16H11ClFNOS — CID 8776857

IUPACN-(2-chlorophenyl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2Cl)sc2cccc(F)c12
InChIInChI=1S/C16H11ClFNOS/c1-9-14-11(18)6-4-8-13(14)21-15(9)16(20)19-12-7-3-2-5-10(12)17/h2-8H,1H3,(H,19,20)
InChIKeyUGQPWFIMRZRSHD-UHFFFAOYSA-N
MW319.79 g/mol
LogP5.25
Rot. Bonds2

About N-(2-chlorophenyl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide

N-(2-chlorophenyl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide (PubChem CID 8776857) has the molecular formula C16H11ClFNOS and a molecular weight of 319.79 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
PubChem CID8776857
Molecular FormulaC16H11ClFNOS
Molecular Weight319.79 g/mol
Exact Mass319.02
IUPAC NameN-(2-chlorophenyl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2Cl)sc2cccc(F)c12
InChIInChI=1S/C16H11ClFNOS/c1-9-14-11(18)6-4-8-13(14)21-15(9)16(20)19-12-7-3-2-5-10(12)17/h2-8H,1H3,(H,19,20)
InChIKeyUGQPWFIMRZRSHD-UHFFFAOYSA-N
XLogP5.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.79
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-(2-fluorophenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 8777289
4-fluoro-N-(2-methoxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 8776982
[(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 4-fluoro-3-methyl-1-benzothiophene-2-carboxylate
CID 8958523
3-chloro-4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 14872487
4-fluoro-3-methyl-N-(2-thiophen-2-ylphenyl)-1-benzothiophene-2-carboxamide
CID 24568109
4-fluoro-N-(4-fluoro-2-methoxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 33070425
3-amino-4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 79517181
N'-benzoyl-4-fluoro-3-methyl-1-benzothiophene-2-carbohydrazide
CID 18196797
4-fluoro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzothiophene-2-carboxamide
CID 55674016
4-fluoro-N-(3-hydroxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 78821511
4-fluoro-N-(2-fluoro-5-nitrophenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 60592753
N-(2-chlorophenyl)-4-fluoro-1-benzothiophene-2-carboxamide
CID 31495952

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide (CID 8776857) is N-(2-chlorophenyl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide is Cc1c(C(=O)Nc2ccccc2Cl)sc2cccc(F)c12.
What is the InChIKey of N-(2-chlorophenyl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is UGQPWFIMRZRSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFNOS/c1-9-14-11(18)6-4-8-13(14)21-15(9)16(20)19-12-7-3-2-5-10(12)17/h2-8H,1H3,(H,19,20).
What are the key properties of N-(2-chlorophenyl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide?
N-(2-chlorophenyl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 319.79 g/mol, XLogP of 5.25, 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-3-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 8776857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).