3-chloro-N-(2-chloro-4-fluorophenyl)-1-benzothiophene-2-carboxamide

C15H8Cl2FNOS — CID 26364259

IUPAC3-chloro-N-(2-chloro-4-fluorophenyl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1Cl)c1sc2ccccc2c1Cl
InChIInChI=1S/C15H8Cl2FNOS/c16-10-7-8(18)5-6-11(10)19-15(20)14-13(17)9-3-1-2-4-12(9)21-14/h1-7H,(H,19,20)
InChIKeyUOXZJNYQMWESDE-UHFFFAOYSA-N
MW340.21 g/mol
LogP5.60
Rot. Bonds2

About 3-chloro-N-(2-chloro-4-fluorophenyl)-1-benzothiophene-2-carboxamide

3-chloro-N-(2-chloro-4-fluorophenyl)-1-benzothiophene-2-carboxamide (PubChem CID 26364259) has the molecular formula C15H8Cl2FNOS and a molecular weight of 340.21 g/mol. Its IUPAC name is 3-chloro-N-(2-chloro-4-fluorophenyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2-chloro-4-fluorophenyl)-1-benzothiophene-2-carboxamide
PubChem CID26364259
Molecular FormulaC15H8Cl2FNOS
Molecular Weight340.21 g/mol
Exact Mass338.97
IUPAC Name3-chloro-N-(2-chloro-4-fluorophenyl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1Cl)c1sc2ccccc2c1Cl
InChIInChI=1S/C15H8Cl2FNOS/c16-10-7-8(18)5-6-11(10)19-15(20)14-13(17)9-3-1-2-4-12(9)21-14/h1-7H,(H,19,20)
InChIKeyUOXZJNYQMWESDE-UHFFFAOYSA-N
XLogP5.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.21
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-(2,5-difluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 3424498
N-(2-bromophenyl)-3-chloro-1-benzothiophene-2-carboxamide
CID 606808
3,6-dichloro-N-(2,4-dichlorophenyl)-1-benzothiophene-2-carboxamide
CID 3618411
3-chloro-6-fluoro-N-(5-fluoro-2-methylphenyl)-1-benzothiophene-2-carboxamide
CID 9097794
3-chloro-6-fluoro-N-(2-hydroxy-4-methylphenyl)-1-benzothiophene-2-carboxamide
CID 16573611
3-chloro-N-(2-chlorophenyl)-6-methyl-1-benzothiophene-2-carboxamide
CID 896642
3-chloro-N-[2-(phenylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 1010573
3-chloro-N-(3-hydroxyphenyl)-1-benzothiophene-2-carboxamide
CID 78796805
3-chloro-N-phenanthren-1-yl-1-benzothiophene-2-carboxamide
CID 10000300
3-chloro-N-(2-methylquinolin-4-yl)-1-benzothiophene-2-carboxamide
CID 14906132
3-chloro-6-fluoro-N-(2-fluoro-5-methylphenyl)-1-benzothiophene-2-carboxamide
CID 16546479
3-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 26884419

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-chloro-4-fluorophenyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(2-chloro-4-fluorophenyl)-1-benzothiophene-2-carboxamide (CID 26364259) is 3-chloro-N-(2-chloro-4-fluorophenyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(2-chloro-4-fluorophenyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(2-chloro-4-fluorophenyl)-1-benzothiophene-2-carboxamide is O=C(Nc1ccc(F)cc1Cl)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-(2-chloro-4-fluorophenyl)-1-benzothiophene-2-carboxamide?
The InChIKey is UOXZJNYQMWESDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2FNOS/c16-10-7-8(18)5-6-11(10)19-15(20)14-13(17)9-3-1-2-4-12(9)21-14/h1-7H,(H,19,20).
What are the key properties of 3-chloro-N-(2-chloro-4-fluorophenyl)-1-benzothiophene-2-carboxamide?
3-chloro-N-(2-chloro-4-fluorophenyl)-1-benzothiophene-2-carboxamide has a molecular weight of 340.21 g/mol, XLogP of 5.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-chloro-4-fluorophenyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 26364259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).