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

C15H8ClF2NOS — CID 14872487

IUPAC3-chloro-4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccccc1F)c1sc2cccc(F)c2c1Cl
InChIInChI=1S/C15H8ClF2NOS/c16-13-12-9(18)5-3-7-11(12)21-14(13)15(20)19-10-6-2-1-4-8(10)17/h1-7H,(H,19,20)
InChIKeyNFHZEGBWQBNHKG-UHFFFAOYSA-N
MW323.75 g/mol
LogP5.09
Rot. Bonds2

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

3-chloro-4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide (PubChem CID 14872487) has the molecular formula C15H8ClF2NOS and a molecular weight of 323.75 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide
PubChem CID14872487
Molecular FormulaC15H8ClF2NOS
Molecular Weight323.75 g/mol
Exact Mass323.00
IUPAC Name3-chloro-4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccccc1F)c1sc2cccc(F)c2c1Cl
InChIInChI=1S/C15H8ClF2NOS/c16-13-12-9(18)5-3-7-11(12)21-14(13)15(20)19-10-6-2-1-4-8(10)17/h1-7H,(H,19,20)
InChIKeyNFHZEGBWQBNHKG-UHFFFAOYSA-N
XLogP5.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.75
LogP ≤ 55.09
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
3-amino-4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 79517181
N-(2-chlorophenyl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 8776857
N-(3-acetamidophenyl)-3-chloro-4-fluoro-1-benzothiophene-2-carboxamide
CID 1245212
3-chloro-4-fluoro-N-phenanthren-3-yl-1-benzothiophene-2-carboxamide
CID 171987142
N-(2-bromophenyl)-3,4-dichloro-1-benzothiophene-2-carboxamide
CID 994741
4-fluoro-N-(2-methoxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 8776982
3-chloro-N-[(2-fluorophenyl)carbamothioyl]-1-benzothiophene-2-carboxamide
CID 4927956
3,4-dichloro-N-(2-nitrophenyl)-1-benzothiophene-2-carboxamide
CID 2933416
3-chloro-4-fluoro-N-morpholin-4-yl-1-benzothiophene-2-carboxamide
CID 1246057
1-chloro-N-(2,3-dichlorophenyl)benzo[e][1]benzothiole-2-carboxamide
CID 19164355
4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 36679235

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide (CID 14872487) is 3-chloro-4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide is O=C(Nc1ccccc1F)c1sc2cccc(F)c2c1Cl.
What is the InChIKey of 3-chloro-4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide?
The InChIKey is NFHZEGBWQBNHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF2NOS/c16-13-12-9(18)5-3-7-11(12)21-14(13)15(20)19-10-6-2-1-4-8(10)17/h1-7H,(H,19,20).
What are the key properties of 3-chloro-4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide?
3-chloro-4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide has a molecular weight of 323.75 g/mol, XLogP of 5.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 14872487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).