2-fluoro-4-hydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide

C11H14FNO2S — CID 104929818

IUPAC2-fluoro-4-hydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide
SMILESCSCC(C)NC(=O)c1ccc(O)cc1F
InChIInChI=1S/C11H14FNO2S/c1-7(6-16-2)13-11(15)9-4-3-8(14)5-10(9)12/h3-5,7,14H,6H2,1-2H3,(H,13,15)
InChIKeySYLXSMSVXKMPHZ-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.01
Rot. Bonds4

About 2-fluoro-4-hydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide

2-fluoro-4-hydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide (PubChem CID 104929818) has the molecular formula C11H14FNO2S and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-fluoro-4-hydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-4-hydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide
PubChem CID104929818
Molecular FormulaC11H14FNO2S
Molecular Weight243.30 g/mol
Exact Mass243.07
IUPAC Name2-fluoro-4-hydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide
SMILESCSCC(C)NC(=O)c1ccc(O)cc1F
InChIInChI=1S/C11H14FNO2S/c1-7(6-16-2)13-11(15)9-4-3-8(14)5-10(9)12/h3-5,7,14H,6H2,1-2H3,(H,13,15)
InChIKeySYLXSMSVXKMPHZ-UHFFFAOYSA-N
XLogP2.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(diethylamino)propan-2-yl]-2-fluoro-4-hydroxybenzamide
CID 104929706
2-[(2-fluoro-4-hydroxybenzoyl)amino]propanoic acid
CID 107674650
2-fluoro-4-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide
CID 103941360
3-[(2-fluoro-4-hydroxybenzoyl)amino]-2-methylbutanoic acid
CID 107675134
N-(1-cyanoethyl)-2-fluoro-4-hydroxybenzamide
CID 103941304
N-[(1S)-1-cyanoethyl]-2-fluoro-4-hydroxybenzamide
CID 126774589
2-fluoro-4-hydroxy-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]benzamide
CID 107676818
3,5-dihydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 104939035
N-(1-aminobutan-2-yl)-2-fluoro-4-hydroxybenzamide
CID 107677142
2-hydroxy-5-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 115636004
4-chloro-N-(4-chlorobutan-2-yl)-2-fluorobenzamide
CID 83187469
N-[(2S)-1-aminopropan-2-yl]-4-chloro-2-fluorobenzamide;hydrochloride
CID 120508532

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-hydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide?
The IUPAC name of 2-fluoro-4-hydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide (CID 104929818) is 2-fluoro-4-hydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide.
What is the SMILES notation for 2-fluoro-4-hydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide?
The canonical SMILES for 2-fluoro-4-hydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide is CSCC(C)NC(=O)c1ccc(O)cc1F.
What is the InChIKey of 2-fluoro-4-hydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide?
The InChIKey is SYLXSMSVXKMPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2S/c1-7(6-16-2)13-11(15)9-4-3-8(14)5-10(9)12/h3-5,7,14H,6H2,1-2H3,(H,13,15).
What are the key properties of 2-fluoro-4-hydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide?
2-fluoro-4-hydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide has a molecular weight of 243.30 g/mol, XLogP of 2.01, 4 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-(1-methylsulfanylpropan-2-yl)benzamide is sourced from PubChem (CID 104929818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).