2-fluoro-4-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide

C13H16FNO2S — CID 113355644

IUPAC2-fluoro-4-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide
SMILESCC1(CNC(=O)c2ccc(O)cc2F)CCCS1
InChIInChI=1S/C13H16FNO2S/c1-13(5-2-6-18-13)8-15-12(17)10-4-3-9(16)7-11(10)14/h3-4,7,16H,2,5-6,8H2,1H3,(H,15,17)
InChIKeyQCYLCFIIGLPPCP-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.55
Rot. Bonds3

About 2-fluoro-4-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide

2-fluoro-4-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide (PubChem CID 113355644) has the molecular formula C13H16FNO2S and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-fluoro-4-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-4-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide
PubChem CID113355644
Molecular FormulaC13H16FNO2S
Molecular Weight269.34 g/mol
Exact Mass269.09
IUPAC Name2-fluoro-4-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide
SMILESCC1(CNC(=O)c2ccc(O)cc2F)CCCS1
InChIInChI=1S/C13H16FNO2S/c1-13(5-2-6-18-13)8-15-12(17)10-4-3-9(16)7-11(10)14/h3-4,7,16H,2,5-6,8H2,1H3,(H,15,17)
InChIKeyQCYLCFIIGLPPCP-UHFFFAOYSA-N
XLogP2.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dihydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 103759085
4-chloro-2-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 80544557
3,5-dihydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 113347322
4-fluoro-3-methyl-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 80528467
4-chloro-2-methoxy-N-[[(2S)-2-methylthiolan-2-yl]methyl]benzamide
CID 96541178
4-bromo-N-[(2-methylthiolan-2-yl)methyl]-2-sulfanylbenzamide
CID 107032909
2-amino-5-methyl-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 80726929
1-[[(2-fluoro-4-hydroxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 107675104
2-fluoro-4-hydroxy-N-[(3-methylpiperidin-3-yl)methyl]benzamide
CID 107677215
2-(3-aminoprop-1-ynyl)-4-fluoro-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 80744611
2-amino-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 80725565
N-[[1-(aminomethyl)cyclohexyl]methyl]-2-fluoro-4-hydroxybenzamide
CID 107677827

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide?
The IUPAC name of 2-fluoro-4-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide (CID 113355644) is 2-fluoro-4-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide.
What is the SMILES notation for 2-fluoro-4-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide?
The canonical SMILES for 2-fluoro-4-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide is CC1(CNC(=O)c2ccc(O)cc2F)CCCS1.
What is the InChIKey of 2-fluoro-4-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide?
The InChIKey is QCYLCFIIGLPPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2S/c1-13(5-2-6-18-13)8-15-12(17)10-4-3-9(16)7-11(10)14/h3-4,7,16H,2,5-6,8H2,1H3,(H,15,17).
What are the key properties of 2-fluoro-4-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide?
2-fluoro-4-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide has a molecular weight of 269.34 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide is sourced from PubChem (CID 113355644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).