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

C16H10ClF2NOS — CID 9097794

IUPAC3-chloro-6-fluoro-N-(5-fluoro-2-methylphenyl)-1-benzothiophene-2-carboxamide
SMILESCc1ccc(F)cc1NC(=O)c1sc2cc(F)ccc2c1Cl
InChIInChI=1S/C16H10ClF2NOS/c1-8-2-3-9(18)6-12(8)20-16(21)15-14(17)11-5-4-10(19)7-13(11)22-15/h2-7H,1H3,(H,20,21)
InChIKeyMNWSBVYYRZBIGI-UHFFFAOYSA-N
MW337.78 g/mol
LogP5.39
Rot. Bonds2

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

3-chloro-6-fluoro-N-(5-fluoro-2-methylphenyl)-1-benzothiophene-2-carboxamide (PubChem CID 9097794) has the molecular formula C16H10ClF2NOS and a molecular weight of 337.78 g/mol. Its IUPAC name is 3-chloro-6-fluoro-N-(5-fluoro-2-methylphenyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-fluoro-N-(5-fluoro-2-methylphenyl)-1-benzothiophene-2-carboxamide
PubChem CID9097794
Molecular FormulaC16H10ClF2NOS
Molecular Weight337.78 g/mol
Exact Mass337.01
IUPAC Name3-chloro-6-fluoro-N-(5-fluoro-2-methylphenyl)-1-benzothiophene-2-carboxamide
SMILESCc1ccc(F)cc1NC(=O)c1sc2cc(F)ccc2c1Cl
InChIInChI=1S/C16H10ClF2NOS/c1-8-2-3-9(18)6-12(8)20-16(21)15-14(17)11-5-4-10(19)7-13(11)22-15/h2-7H,1H3,(H,20,21)
InChIKeyMNWSBVYYRZBIGI-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-fluoro-5-methylphenyl)-1-benzothiophene-2-carboxamide
CID 16546479
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-chloro-6-fluoro-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)-1-benzothiophene-2-carboxamide
CID 48666618
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide
CID 35132079
3-chloro-6-fluoro-N-(3-methylsulfanylphenyl)-1-benzothiophene-2-carboxamide
CID 2087791
methyl 3-[(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)amino]-4-methylbenzoate
CID 2225358
3-chloro-6-fluoro-N-(1-hydroxybutan-2-yl)-1-benzothiophene-2-carboxamide
CID 43390261
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-6-fluoro-N-prop-2-ynyl-1-benzothiophene-2-carboxamide
CID 18110036

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-fluoro-N-(5-fluoro-2-methylphenyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-6-fluoro-N-(5-fluoro-2-methylphenyl)-1-benzothiophene-2-carboxamide (CID 9097794) is 3-chloro-6-fluoro-N-(5-fluoro-2-methylphenyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-6-fluoro-N-(5-fluoro-2-methylphenyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-6-fluoro-N-(5-fluoro-2-methylphenyl)-1-benzothiophene-2-carboxamide is Cc1ccc(F)cc1NC(=O)c1sc2cc(F)ccc2c1Cl.
What is the InChIKey of 3-chloro-6-fluoro-N-(5-fluoro-2-methylphenyl)-1-benzothiophene-2-carboxamide?
The InChIKey is MNWSBVYYRZBIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF2NOS/c1-8-2-3-9(18)6-12(8)20-16(21)15-14(17)11-5-4-10(19)7-13(11)22-15/h2-7H,1H3,(H,20,21).
What are the key properties of 3-chloro-6-fluoro-N-(5-fluoro-2-methylphenyl)-1-benzothiophene-2-carboxamide?
3-chloro-6-fluoro-N-(5-fluoro-2-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-(5-fluoro-2-methylphenyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 9097794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).