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

C16H12FNO2S — CID 81116481

IUPAC6-fluoro-N-(3-hydroxy-2-methylphenyl)-1-benzothiophene-2-carboxamide
SMILESCc1c(O)cccc1NC(=O)c1cc2ccc(F)cc2s1
InChIInChI=1S/C16H12FNO2S/c1-9-12(3-2-4-13(9)19)18-16(20)15-7-10-5-6-11(17)8-14(10)21-15/h2-8,19H,1H3,(H,18,20)
InChIKeyKJZMLINBELJFOL-UHFFFAOYSA-N
MW301.34 g/mol
LogP4.31
Rot. Bonds2

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

6-fluoro-N-(3-hydroxy-2-methylphenyl)-1-benzothiophene-2-carboxamide (PubChem CID 81116481) has the molecular formula C16H12FNO2S and a molecular weight of 301.34 g/mol. Its IUPAC name is 6-fluoro-N-(3-hydroxy-2-methylphenyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(3-hydroxy-2-methylphenyl)-1-benzothiophene-2-carboxamide
PubChem CID81116481
Molecular FormulaC16H12FNO2S
Molecular Weight301.34 g/mol
Exact Mass301.06
IUPAC Name6-fluoro-N-(3-hydroxy-2-methylphenyl)-1-benzothiophene-2-carboxamide
SMILESCc1c(O)cccc1NC(=O)c1cc2ccc(F)cc2s1
InChIInChI=1S/C16H12FNO2S/c1-9-12(3-2-4-13(9)19)18-16(20)15-7-10-5-6-11(17)8-14(10)21-15/h2-8,19H,1H3,(H,18,20)
InChIKeyKJZMLINBELJFOL-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

N-[3-[(3-hydroxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 869374
3-hydroxy-N-(3-(trifluoromethyl)phenyl)-1-benzothiophene-2-carboxamide
CID 901311
N-[4-[(3-hydroxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 976646
N-[2-[(4-fluorophenyl)carbamoyl]-4-methylphenyl]-5-hydroxy-1-benzothiophene-2-carboxamide
CID 44296180
N-[2-[(4-fluorophenyl)carbamoyl]-4-methylphenyl]-6-hydroxy-1-benzothiophene-2-carboxamide
CID 44296288
N,5-bis(3-hydroxyphenyl)-N-methylthiophene-2-carboxamide
CID 60196494
5-(2-hydroxyphenyl)-N-(3-hydroxyphenyl)-N-methylthiophene-2-carboxamide
CID 60196496
N-(3-hydroxyphenyl)-N-methyl-5-phenylthiophene-2-carboxamide
CID 60196498
N-(3-fluorophenyl)-5-(4-hydroxyphenyl)thiophene-2-carboxamide
CID 137501923
N-(4-fluorophenyl)-5-(3-hydroxyphenyl)thiophene-2-carboxamide
CID 137518253
5-(4-hydroxyphenyl)-N-(4-methylphenyl)thiophene-2-carboxamide
CID 137518255
5-(3-fluorophenyl)-N-(3-hydroxyphenyl)thiophene-2-carboxamide
CID 137518261

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(3-hydroxy-2-methylphenyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 6-fluoro-N-(3-hydroxy-2-methylphenyl)-1-benzothiophene-2-carboxamide (CID 81116481) is 6-fluoro-N-(3-hydroxy-2-methylphenyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-(3-hydroxy-2-methylphenyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 6-fluoro-N-(3-hydroxy-2-methylphenyl)-1-benzothiophene-2-carboxamide is Cc1c(O)cccc1NC(=O)c1cc2ccc(F)cc2s1.
What is the InChIKey of 6-fluoro-N-(3-hydroxy-2-methylphenyl)-1-benzothiophene-2-carboxamide?
The InChIKey is KJZMLINBELJFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO2S/c1-9-12(3-2-4-13(9)19)18-16(20)15-7-10-5-6-11(17)8-14(10)21-15/h2-8,19H,1H3,(H,18,20).
What are the key properties of 6-fluoro-N-(3-hydroxy-2-methylphenyl)-1-benzothiophene-2-carboxamide?
6-fluoro-N-(3-hydroxy-2-methylphenyl)-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 6-fluoro-N-(3-hydroxy-2-methylphenyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 81116481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).