4-fluoro-2-hydroxy-N-(4-methylsulfanylbutyl)benzamide

C12H16FNO2S — CID 113304588

IUPAC4-fluoro-2-hydroxy-N-(4-methylsulfanylbutyl)benzamide
SMILESCSCCCCNC(=O)c1ccc(F)cc1O
InChIInChI=1S/C12H16FNO2S/c1-17-7-3-2-6-14-12(16)10-5-4-9(13)8-11(10)15/h4-5,8,15H,2-3,6-7H2,1H3,(H,14,16)
InChIKeyGIXTZHXEPMGJKY-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.40
Rot. Bonds6

About 4-fluoro-2-hydroxy-N-(4-methylsulfanylbutyl)benzamide

4-fluoro-2-hydroxy-N-(4-methylsulfanylbutyl)benzamide (PubChem CID 113304588) has the molecular formula C12H16FNO2S and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-fluoro-2-hydroxy-N-(4-methylsulfanylbutyl)benzamide.

Molecular Properties

Compound Name4-fluoro-2-hydroxy-N-(4-methylsulfanylbutyl)benzamide
PubChem CID113304588
Molecular FormulaC12H16FNO2S
Molecular Weight257.33 g/mol
Exact Mass257.09
IUPAC Name4-fluoro-2-hydroxy-N-(4-methylsulfanylbutyl)benzamide
SMILESCSCCCCNC(=O)c1ccc(F)cc1O
InChIInChI=1S/C12H16FNO2S/c1-17-7-3-2-6-14-12(16)10-5-4-9(13)8-11(10)15/h4-5,8,15H,2-3,6-7H2,1H3,(H,14,16)
InChIKeyGIXTZHXEPMGJKY-UHFFFAOYSA-N
XLogP2.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-fluoro-2-hydroxy-N-(4-methylsulfanylbutyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-2-methyl-N-(5-methylsulfanylpentyl)benzamide
CID 104920099
N-(4-aminobutyl)-4-fluoro-2-hydroxybenzamide
CID 107012875
2-hydroxy-4-methoxy-N-(4-methylsulfanylbutyl)benzamide
CID 113238429
4-fluoro-2-hydroxy-N-(4-methylpentyl)benzamide
CID 103829717
4-fluoro-2-hydroxy-N-[3-(2-methylpropanoylamino)propyl]benzamide
CID 86814360
4-fluoro-2-hydroxy-N-[4-(2-methoxyethoxy)butyl]benzamide
CID 103829912
4-[(4-fluoro-2-hydroxybenzoyl)amino]butanoic acid
CID 107013327
N-(3-ethoxypropyl)-4-fluoro-2-hydroxybenzamide
CID 103829625
N-(3-butoxypropyl)-4-fluoro-2-hydroxybenzamide
CID 103829628
2-fluoro-N-(5-methylsulfanylpentyl)benzamide
CID 104920148
N-(3,3-dimethylbutyl)-4-fluoro-2-hydroxybenzamide
CID 113304540
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(3-methylsulfanylpropyl)benzamide
CID 63960542

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-hydroxy-N-(4-methylsulfanylbutyl)benzamide?
The IUPAC name of 4-fluoro-2-hydroxy-N-(4-methylsulfanylbutyl)benzamide (CID 113304588) is 4-fluoro-2-hydroxy-N-(4-methylsulfanylbutyl)benzamide.
What is the SMILES notation for 4-fluoro-2-hydroxy-N-(4-methylsulfanylbutyl)benzamide?
The canonical SMILES for 4-fluoro-2-hydroxy-N-(4-methylsulfanylbutyl)benzamide is CSCCCCNC(=O)c1ccc(F)cc1O.
What is the InChIKey of 4-fluoro-2-hydroxy-N-(4-methylsulfanylbutyl)benzamide?
The InChIKey is GIXTZHXEPMGJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2S/c1-17-7-3-2-6-14-12(16)10-5-4-9(13)8-11(10)15/h4-5,8,15H,2-3,6-7H2,1H3,(H,14,16).
What are the key properties of 4-fluoro-2-hydroxy-N-(4-methylsulfanylbutyl)benzamide?
4-fluoro-2-hydroxy-N-(4-methylsulfanylbutyl)benzamide has a molecular weight of 257.33 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-hydroxy-N-(4-methylsulfanylbutyl)benzamide is sourced from PubChem (CID 113304588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).