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

C16H10ClF2NOS — CID 16546479

IUPAC3-chloro-6-fluoro-N-(2-fluoro-5-methylphenyl)-1-benzothiophene-2-carboxamide
SMILESCc1ccc(F)c(NC(=O)c2sc3cc(F)ccc3c2Cl)c1
InChIInChI=1S/C16H10ClF2NOS/c1-8-2-5-11(19)12(6-8)20-16(21)15-14(17)10-4-3-9(18)7-13(10)22-15/h2-7H,1H3,(H,20,21)
InChIKeyQZSGXYJMUDTDMI-UHFFFAOYSA-N
MW337.78 g/mol
LogP5.39
Rot. Bonds2

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

3-chloro-6-fluoro-N-(2-fluoro-5-methylphenyl)-1-benzothiophene-2-carboxamide (PubChem CID 16546479) has the molecular formula C16H10ClF2NOS and a molecular weight of 337.78 g/mol. Its IUPAC name is 3-chloro-6-fluoro-N-(2-fluoro-5-methylphenyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-fluoro-N-(2-fluoro-5-methylphenyl)-1-benzothiophene-2-carboxamide
PubChem CID16546479
Molecular FormulaC16H10ClF2NOS
Molecular Weight337.78 g/mol
Exact Mass337.01
IUPAC Name3-chloro-6-fluoro-N-(2-fluoro-5-methylphenyl)-1-benzothiophene-2-carboxamide
SMILESCc1ccc(F)c(NC(=O)c2sc3cc(F)ccc3c2Cl)c1
InChIInChI=1S/C16H10ClF2NOS/c1-8-2-5-11(19)12(6-8)20-16(21)15-14(17)10-4-3-9(18)7-13(10)22-15/h2-7H,1H3,(H,20,21)
InChIKeyQZSGXYJMUDTDMI-UHFFFAOYSA-N
XLogP5.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.78
LogP ≤ 55.39
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
3-chloro-6-fluoro-N-(2-hydroxy-4-methylphenyl)-1-benzothiophene-2-carboxamide
CID 16573611
3-chloro-6-fluoro-N-(5-fluoro-2-methylphenyl)-1-benzothiophene-2-carboxamide
CID 9097794
3-chloro-N-(2-chlorophenyl)-6-methyl-1-benzothiophene-2-carboxamide
CID 896642
3-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 26884419
3-chloro-N-[(Z)-(4-fluorophenyl)methylideneamino]-6-methyl-1-benzothiophene-2-carboxamide
CID 6051021
3-chloro-N-[(4-fluorophenyl)methylideneamino]-6-methyl-1-benzothiophene-2-carboxamide
CID 4260375
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide
CID 35132079
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
3-chloro-6-fluoro-N-(3-methylsulfanylphenyl)-1-benzothiophene-2-carboxamide
CID 2087791
N-(3-bromophenyl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide
CID 26914051

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-fluoro-N-(2-fluoro-5-methylphenyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-6-fluoro-N-(2-fluoro-5-methylphenyl)-1-benzothiophene-2-carboxamide (CID 16546479) is 3-chloro-6-fluoro-N-(2-fluoro-5-methylphenyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-6-fluoro-N-(2-fluoro-5-methylphenyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-6-fluoro-N-(2-fluoro-5-methylphenyl)-1-benzothiophene-2-carboxamide is Cc1ccc(F)c(NC(=O)c2sc3cc(F)ccc3c2Cl)c1.
What is the InChIKey of 3-chloro-6-fluoro-N-(2-fluoro-5-methylphenyl)-1-benzothiophene-2-carboxamide?
The InChIKey is QZSGXYJMUDTDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF2NOS/c1-8-2-5-11(19)12(6-8)20-16(21)15-14(17)10-4-3-9(18)7-13(10)22-15/h2-7H,1H3,(H,20,21).
What are the key properties of 3-chloro-6-fluoro-N-(2-fluoro-5-methylphenyl)-1-benzothiophene-2-carboxamide?
3-chloro-6-fluoro-N-(2-fluoro-5-methylphenyl)-1-benzothiophene-2-carboxamide has a molecular weight of 337.78 g/mol, XLogP of 5.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-fluoro-N-(2-fluoro-5-methylphenyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 16546479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).