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

C13H12FNO2S — CID 79523994

IUPAC5-fluoro-2-hydroxy-N-[(5-methylthiophen-2-yl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2cc(F)ccc2O)s1
InChIInChI=1S/C13H12FNO2S/c1-8-2-4-10(18-8)7-15-13(17)11-6-9(14)3-5-12(11)16/h2-6,16H,7H2,1H3,(H,15,17)
InChIKeyPAFLGKZLEGOAMP-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.83
Rot. Bonds3

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

5-fluoro-2-hydroxy-N-[(5-methylthiophen-2-yl)methyl]benzamide (PubChem CID 79523994) has the molecular formula C13H12FNO2S and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-fluoro-2-hydroxy-N-[(5-methylthiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound Name5-fluoro-2-hydroxy-N-[(5-methylthiophen-2-yl)methyl]benzamide
PubChem CID79523994
Molecular FormulaC13H12FNO2S
Molecular Weight265.31 g/mol
Exact Mass265.06
IUPAC Name5-fluoro-2-hydroxy-N-[(5-methylthiophen-2-yl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2cc(F)ccc2O)s1
InChIInChI=1S/C13H12FNO2S/c1-8-2-4-10(18-8)7-15-13(17)11-6-9(14)3-5-12(11)16/h2-6,16H,7H2,1H3,(H,15,17)
InChIKeyPAFLGKZLEGOAMP-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

5-fluoro-2-hydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 79524592
5-fluoro-2-hydroxy-N-[(4-methylthiophen-3-yl)methyl]benzamide
CID 115299175
N-ethyl-5-fluoro-2-hydroxybenzamide
CID 79531934
5-fluoro-2-hydroxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 103739171
N-[(2,5-difluorophenyl)methyl]-5-fluoro-2-hydroxybenzamide
CID 79880980
N-[(2-ethylphenyl)methyl]-5-fluoro-2-hydroxybenzamide
CID 115299129
5-fluoro-2-hydroxy-N-(2-hydroxyethyl)benzamide
CID 67742481
2,6-dichloro-N-[(5-methylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 55021338
5-chloro-2-iodo-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 47227109
4-bromo-3-fluoro-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 47450227
3,6-dichloro-N-[(5-methylthiophen-2-yl)methyl]pyridazine-4-carboxamide
CID 114038484
5-hydroxy-N-[(5-methylthiophen-2-yl)methyl]-2-nitrobenzamide
CID 102741722

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-hydroxy-N-[(5-methylthiophen-2-yl)methyl]benzamide?
The IUPAC name of 5-fluoro-2-hydroxy-N-[(5-methylthiophen-2-yl)methyl]benzamide (CID 79523994) is 5-fluoro-2-hydroxy-N-[(5-methylthiophen-2-yl)methyl]benzamide.
What is the SMILES notation for 5-fluoro-2-hydroxy-N-[(5-methylthiophen-2-yl)methyl]benzamide?
The canonical SMILES for 5-fluoro-2-hydroxy-N-[(5-methylthiophen-2-yl)methyl]benzamide is Cc1ccc(CNC(=O)c2cc(F)ccc2O)s1.
What is the InChIKey of 5-fluoro-2-hydroxy-N-[(5-methylthiophen-2-yl)methyl]benzamide?
The InChIKey is PAFLGKZLEGOAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2S/c1-8-2-4-10(18-8)7-15-13(17)11-6-9(14)3-5-12(11)16/h2-6,16H,7H2,1H3,(H,15,17).
What are the key properties of 5-fluoro-2-hydroxy-N-[(5-methylthiophen-2-yl)methyl]benzamide?
5-fluoro-2-hydroxy-N-[(5-methylthiophen-2-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-[(5-methylthiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 79523994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).