4-fluoro-N-(3-hydroxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide

C16H12FNO2S — CID 78821511

IUPAC4-fluoro-N-(3-hydroxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)Nc2cccc(O)c2)sc2cccc(F)c12
InChIInChI=1S/C16H12FNO2S/c1-9-14-12(17)6-3-7-13(14)21-15(9)16(20)18-10-4-2-5-11(19)8-10/h2-8,19H,1H3,(H,18,20)
InChIKeyBUMYMIGTWYGTLQ-UHFFFAOYSA-N
MW301.34 g/mol
LogP4.31
Rot. Bonds2

About 4-fluoro-N-(3-hydroxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide

4-fluoro-N-(3-hydroxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide (PubChem CID 78821511) has the molecular formula C16H12FNO2S and a molecular weight of 301.34 g/mol. Its IUPAC name is 4-fluoro-N-(3-hydroxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-(3-hydroxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide
PubChem CID78821511
Molecular FormulaC16H12FNO2S
Molecular Weight301.34 g/mol
Exact Mass301.06
IUPAC Name4-fluoro-N-(3-hydroxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)Nc2cccc(O)c2)sc2cccc(F)c12
InChIInChI=1S/C16H12FNO2S/c1-9-14-12(17)6-3-7-13(14)21-15(9)16(20)18-10-4-2-5-11(19)8-10/h2-8,19H,1H3,(H,18,20)
InChIKeyBUMYMIGTWYGTLQ-UHFFFAOYSA-N
XLogP4.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 55567162
4-fluoro-3-methyl-N-pyridin-3-yl-1-benzothiophene-2-carboxamide
CID 26817295
4-fluoro-N-(2-fluorophenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 8777289
N-(3,4-dipropoxyphenyl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 18269502
N-(3-acetamidophenyl)-3-chloro-4-fluoro-1-benzothiophene-2-carboxamide
CID 1245212
4-fluoro-3-methyl-N-[4-(3-methylphenoxy)phenyl]-1-benzothiophene-2-carboxamide
CID 7603352
N'-benzoyl-4-fluoro-3-methyl-1-benzothiophene-2-carbohydrazide
CID 18196797
4-fluoro-3-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1-benzothiophene-2-carboxamide
CID 55764838
3-amino-4-fluoro-N-(3-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 79516844
N-(2-chlorophenyl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 8776857
N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 18230489
4-fluoro-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 28545025

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-hydroxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-N-(3-hydroxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide (CID 78821511) is 4-fluoro-N-(3-hydroxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-(3-hydroxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-N-(3-hydroxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide is Cc1c(C(=O)Nc2cccc(O)c2)sc2cccc(F)c12.
What is the InChIKey of 4-fluoro-N-(3-hydroxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is BUMYMIGTWYGTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO2S/c1-9-14-12(17)6-3-7-13(14)21-15(9)16(20)18-10-4-2-5-11(19)8-10/h2-8,19H,1H3,(H,18,20).
What are the key properties of 4-fluoro-N-(3-hydroxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide?
4-fluoro-N-(3-hydroxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 301.34 g/mol, XLogP of 4.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-hydroxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 78821511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).