N-(3,3-dimethylbutyl)-4-fluoro-2-hydroxybenzamide

C13H18FNO2 — CID 113304540

IUPACN-(3,3-dimethylbutyl)-4-fluoro-2-hydroxybenzamide
SMILESCC(C)(C)CCNC(=O)c1ccc(F)cc1O
InChIInChI=1S/C13H18FNO2/c1-13(2,3)6-7-15-12(17)10-5-4-9(14)8-11(10)16/h4-5,8,16H,6-7H2,1-3H3,(H,15,17)
InChIKeyZAIWWTKAOCXYPC-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.70
Rot. Bonds3

About N-(3,3-dimethylbutyl)-4-fluoro-2-hydroxybenzamide

N-(3,3-dimethylbutyl)-4-fluoro-2-hydroxybenzamide (PubChem CID 113304540) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-4-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-4-fluoro-2-hydroxybenzamide
PubChem CID113304540
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC NameN-(3,3-dimethylbutyl)-4-fluoro-2-hydroxybenzamide
SMILESCC(C)(C)CCNC(=O)c1ccc(F)cc1O
InChIInChI=1S/C13H18FNO2/c1-13(2,3)6-7-15-12(17)10-5-4-9(14)8-11(10)16/h4-5,8,16H,6-7H2,1-3H3,(H,15,17)
InChIKeyZAIWWTKAOCXYPC-UHFFFAOYSA-N
XLogP2.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(3,3-dimethylbutyl)-4-fluorobenzamide
CID 115580238
4-fluoro-2-hydroxy-N-[2-(propylamino)ethyl]benzamide
CID 107015821
4-fluoro-2-hydroxy-N-(2-methylsulfonylethyl)benzamide
CID 113304549
4-fluoro-2-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)benzamide
CID 103830009
4-fluoro-2-hydroxy-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 102685154
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-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 103830101
N-(4-aminobutyl)-4-fluoro-2-hydroxybenzamide
CID 107012875
4-[(4-fluoro-2-hydroxybenzoyl)amino]butanoic acid
CID 107013327
4-fluoro-2-hydroxy-N-(4-methylsulfanylbutyl)benzamide
CID 113304588
N-(3-ethoxypropyl)-4-fluoro-2-hydroxybenzamide
CID 103829625

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-4-fluoro-2-hydroxybenzamide?
The IUPAC name of N-(3,3-dimethylbutyl)-4-fluoro-2-hydroxybenzamide (CID 113304540) is N-(3,3-dimethylbutyl)-4-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-4-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-4-fluoro-2-hydroxybenzamide is CC(C)(C)CCNC(=O)c1ccc(F)cc1O.
What is the InChIKey of N-(3,3-dimethylbutyl)-4-fluoro-2-hydroxybenzamide?
The InChIKey is ZAIWWTKAOCXYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-13(2,3)6-7-15-12(17)10-5-4-9(14)8-11(10)16/h4-5,8,16H,6-7H2,1-3H3,(H,15,17).
What are the key properties of N-(3,3-dimethylbutyl)-4-fluoro-2-hydroxybenzamide?
N-(3,3-dimethylbutyl)-4-fluoro-2-hydroxybenzamide has a molecular weight of 239.29 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-4-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 113304540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).