2-fluoro-6-hydroxy-N-(1-methylsulfanylbutan-2-yl)benzamide

C12H16FNO2S — CID 104918352

IUPAC2-fluoro-6-hydroxy-N-(1-methylsulfanylbutan-2-yl)benzamide
SMILESCCC(CSC)NC(=O)c1c(O)cccc1F
InChIInChI=1S/C12H16FNO2S/c1-3-8(7-17-2)14-12(16)11-9(13)5-4-6-10(11)15/h4-6,8,15H,3,7H2,1-2H3,(H,14,16)
InChIKeyXMBVVIDVFLDLKN-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.40
Rot. Bonds5

About 2-fluoro-6-hydroxy-N-(1-methylsulfanylbutan-2-yl)benzamide

2-fluoro-6-hydroxy-N-(1-methylsulfanylbutan-2-yl)benzamide (PubChem CID 104918352) has the molecular formula C12H16FNO2S and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-fluoro-6-hydroxy-N-(1-methylsulfanylbutan-2-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-6-hydroxy-N-(1-methylsulfanylbutan-2-yl)benzamide
PubChem CID104918352
Molecular FormulaC12H16FNO2S
Molecular Weight257.33 g/mol
Exact Mass257.09
IUPAC Name2-fluoro-6-hydroxy-N-(1-methylsulfanylbutan-2-yl)benzamide
SMILESCCC(CSC)NC(=O)c1c(O)cccc1F
InChIInChI=1S/C12H16FNO2S/c1-3-8(7-17-2)14-12(16)11-9(13)5-4-6-10(11)15/h4-6,8,15H,3,7H2,1-2H3,(H,14,16)
InChIKeyXMBVVIDVFLDLKN-UHFFFAOYSA-N
XLogP2.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-difluoro-N-(1-methylsulfanylbutan-2-yl)-3-nitrobenzamide
CID 103916598
N-(1-chloro-3-methoxypropan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 106183536
N-(1-amino-3-methoxypropan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 114154757
N-(1-aminopropan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 107015862
N-(1-bromopropan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 107016869
2-chloro-6-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 103920045
N-(1-amino-1-sulfanylidenepentan-3-yl)-2,6-dihydroxybenzamide
CID 107688701
2-fluoro-6-hydroxy-N-[(2R)-2-hydroxypropyl]benzamide
CID 104920570
N-(4-amino-3-methylbutan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 107017120
N-(1-cyanopropan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 104917326
2-hydroxy-5-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 113351023
2,6-difluoro-N-[3-methyl-1-oxo-1-(pentan-3-ylamino)butan-2-yl]benzamide
CID 46561548

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-hydroxy-N-(1-methylsulfanylbutan-2-yl)benzamide?
The IUPAC name of 2-fluoro-6-hydroxy-N-(1-methylsulfanylbutan-2-yl)benzamide (CID 104918352) is 2-fluoro-6-hydroxy-N-(1-methylsulfanylbutan-2-yl)benzamide.
What is the SMILES notation for 2-fluoro-6-hydroxy-N-(1-methylsulfanylbutan-2-yl)benzamide?
The canonical SMILES for 2-fluoro-6-hydroxy-N-(1-methylsulfanylbutan-2-yl)benzamide is CCC(CSC)NC(=O)c1c(O)cccc1F.
What is the InChIKey of 2-fluoro-6-hydroxy-N-(1-methylsulfanylbutan-2-yl)benzamide?
The InChIKey is XMBVVIDVFLDLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2S/c1-3-8(7-17-2)14-12(16)11-9(13)5-4-6-10(11)15/h4-6,8,15H,3,7H2,1-2H3,(H,14,16).
What are the key properties of 2-fluoro-6-hydroxy-N-(1-methylsulfanylbutan-2-yl)benzamide?
2-fluoro-6-hydroxy-N-(1-methylsulfanylbutan-2-yl)benzamide has a molecular weight of 257.33 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-hydroxy-N-(1-methylsulfanylbutan-2-yl)benzamide is sourced from PubChem (CID 104918352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).