5-fluoro-2-hydroxy-N-[(4-methylthiophen-3-yl)methyl]benzamide

C13H12FNO2S — CID 115299175

IUPAC5-fluoro-2-hydroxy-N-[(4-methylthiophen-3-yl)methyl]benzamide
SMILESCc1cscc1CNC(=O)c1cc(F)ccc1O
InChIInChI=1S/C13H12FNO2S/c1-8-6-18-7-9(8)5-15-13(17)11-4-10(14)2-3-12(11)16/h2-4,6-7,16H,5H2,1H3,(H,15,17)
InChIKeyKPJJQSHXZXXTJA-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.83
Rot. Bonds3

About 5-fluoro-2-hydroxy-N-[(4-methylthiophen-3-yl)methyl]benzamide

5-fluoro-2-hydroxy-N-[(4-methylthiophen-3-yl)methyl]benzamide (PubChem CID 115299175) has the molecular formula C13H12FNO2S and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-fluoro-2-hydroxy-N-[(4-methylthiophen-3-yl)methyl]benzamide.

Molecular Properties

Compound Name5-fluoro-2-hydroxy-N-[(4-methylthiophen-3-yl)methyl]benzamide
PubChem CID115299175
Molecular FormulaC13H12FNO2S
Molecular Weight265.31 g/mol
Exact Mass265.06
IUPAC Name5-fluoro-2-hydroxy-N-[(4-methylthiophen-3-yl)methyl]benzamide
SMILESCc1cscc1CNC(=O)c1cc(F)ccc1O
InChIInChI=1S/C13H12FNO2S/c1-8-6-18-7-9(8)5-15-13(17)11-4-10(14)2-3-12(11)16/h2-4,6-7,16H,5H2,1H3,(H,15,17)
InChIKeyKPJJQSHXZXXTJA-UHFFFAOYSA-N
XLogP2.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,5-difluorophenyl)methyl]-5-fluoro-2-hydroxybenzamide
CID 79880980
N-[(2-ethylphenyl)methyl]-5-fluoro-2-hydroxybenzamide
CID 115299129
5-fluoro-N-[(2-hydroxyphenyl)methyl]-2-methylbenzamide
CID 115598801
5-fluoro-2-hydroxy-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 79523994
5-amino-2-fluoro-3-methyl-N-[(4-methylthiophen-3-yl)methyl]benzamide
CID 103296656
3-hydroxy-N-[(4-methylthiophen-3-yl)methyl]pyridine-4-carboxamide
CID 81443108
N-ethyl-5-fluoro-2-hydroxybenzamide
CID 79531934
N-[[2-(aminomethyl)phenyl]methyl]-5-fluoro-2-hydroxybenzamide
CID 115299371
5-fluoro-2-hydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 79524592
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-hydroxy-5-methylbenzamide
CID 46474447
2,5-difluoro-N-[(2-methylphenyl)methyl]benzamide
CID 30500868
5-fluoro-2-hydroxy-N-(2-hydroxyethyl)benzamide
CID 67742481

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-hydroxy-N-[(4-methylthiophen-3-yl)methyl]benzamide?
The IUPAC name of 5-fluoro-2-hydroxy-N-[(4-methylthiophen-3-yl)methyl]benzamide (CID 115299175) is 5-fluoro-2-hydroxy-N-[(4-methylthiophen-3-yl)methyl]benzamide.
What is the SMILES notation for 5-fluoro-2-hydroxy-N-[(4-methylthiophen-3-yl)methyl]benzamide?
The canonical SMILES for 5-fluoro-2-hydroxy-N-[(4-methylthiophen-3-yl)methyl]benzamide is Cc1cscc1CNC(=O)c1cc(F)ccc1O.
What is the InChIKey of 5-fluoro-2-hydroxy-N-[(4-methylthiophen-3-yl)methyl]benzamide?
The InChIKey is KPJJQSHXZXXTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2S/c1-8-6-18-7-9(8)5-15-13(17)11-4-10(14)2-3-12(11)16/h2-4,6-7,16H,5H2,1H3,(H,15,17).
What are the key properties of 5-fluoro-2-hydroxy-N-[(4-methylthiophen-3-yl)methyl]benzamide?
5-fluoro-2-hydroxy-N-[(4-methylthiophen-3-yl)methyl]benzamide has a molecular weight of 265.31 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-hydroxy-N-[(4-methylthiophen-3-yl)methyl]benzamide is sourced from PubChem (CID 115299175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).