3-chloro-N-(2,5-difluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide

C15H7ClF3NOS — CID 3424498

IUPAC3-chloro-N-(2,5-difluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cc(F)ccc1F)c1sc2cc(F)ccc2c1Cl
InChIInChI=1S/C15H7ClF3NOS/c16-13-9-3-1-8(18)6-12(9)22-14(13)15(21)20-11-5-7(17)2-4-10(11)19/h1-6H,(H,20,21)
InChIKeyPIAWCWHHOZDPDG-UHFFFAOYSA-N
MW341.74 g/mol
LogP5.22
Rot. Bonds2

About 3-chloro-N-(2,5-difluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide

3-chloro-N-(2,5-difluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide (PubChem CID 3424498) has the molecular formula C15H7ClF3NOS and a molecular weight of 341.74 g/mol. Its IUPAC name is 3-chloro-N-(2,5-difluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2,5-difluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide
PubChem CID3424498
Molecular FormulaC15H7ClF3NOS
Molecular Weight341.74 g/mol
Exact Mass340.99
IUPAC Name3-chloro-N-(2,5-difluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cc(F)ccc1F)c1sc2cc(F)ccc2c1Cl
InChIInChI=1S/C15H7ClF3NOS/c16-13-9-3-1-8(18)6-12(9)22-14(13)15(21)20-11-5-7(17)2-4-10(11)19/h1-6H,(H,20,21)
InChIKeyPIAWCWHHOZDPDG-UHFFFAOYSA-N
XLogP5.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.74
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-6-fluoro-N-(2-fluoro-5-methylphenyl)-1-benzothiophene-2-carboxamide
CID 16546479
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-(4-chloro-2,5-dimethoxyphenyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 26884419
3,6-dichloro-N-(2-fluoro-4-iodophenyl)-1-benzothiophene-2-carboxamide
CID 2214579
3,6-dichloro-N-(2,4-dichlorophenyl)-1-benzothiophene-2-carboxamide
CID 3618411
N-(3-bromophenyl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide
CID 26914051
3-chloro-6-fluoro-N-quinolin-8-yl-1-benzothiophene-2-carboxamide
CID 26123631
3-chloro-N-(2-chloro-4-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 26364259
3-chloro-6-fluoro-N-(3-methylsulfanylphenyl)-1-benzothiophene-2-carboxamide
CID 2087791
3-chloro-N-(2-chloroprop-2-enyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 115636901
N-(2-aminophenyl)-3,6-dichloro-1-benzothiophene-2-carboxamide
CID 91687360

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,5-difluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(2,5-difluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide (CID 3424498) is 3-chloro-N-(2,5-difluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(2,5-difluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(2,5-difluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide is O=C(Nc1cc(F)ccc1F)c1sc2cc(F)ccc2c1Cl.
What is the InChIKey of 3-chloro-N-(2,5-difluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide?
The InChIKey is PIAWCWHHOZDPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7ClF3NOS/c16-13-9-3-1-8(18)6-12(9)22-14(13)15(21)20-11-5-7(17)2-4-10(11)19/h1-6H,(H,20,21).
What are the key properties of 3-chloro-N-(2,5-difluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide?
3-chloro-N-(2,5-difluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide has a molecular weight of 341.74 g/mol, XLogP of 5.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,5-difluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 3424498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).