4-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide

C13H18FNO3 — CID 110002940

IUPAC4-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide
SMILESCOCC(C)(CCO)NC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO3/c1-13(7-8-16,9-18-2)15-12(17)10-3-5-11(14)6-4-10/h3-6,16H,7-9H2,1-2H3,(H,15,17)
InChIKeyZIDJVGBJGYXGLY-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.34
Rot. Bonds6

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

4-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide (PubChem CID 110002940) has the molecular formula C13H18FNO3 and a molecular weight of 255.29 g/mol. Its IUPAC name is 4-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide
PubChem CID110002940
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC Name4-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide
SMILESCOCC(C)(CCO)NC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO3/c1-13(7-8-16,9-18-2)15-12(17)10-3-5-11(14)6-4-10/h3-6,16H,7-9H2,1-2H3,(H,15,17)
InChIKeyZIDJVGBJGYXGLY-UHFFFAOYSA-N
XLogP1.34
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3,4-dimethylbenzamide
CID 110003023
4-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3,5-dimethylbenzamide
CID 110002811
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)naphthalene-2-carboxamide
CID 110003171
4-chloro-2-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide
CID 110003172
2-chloro-3-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide
CID 110002736
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-5-methylpyridine-3-carboxamide
CID 110002826
(Z)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-[4-(trifluoromethyl)phenyl]but-2-enamide
CID 110003158
1-(4-fluoro-2-methylphenyl)-3-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)urea
CID 111967721
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-5-methylthiophene-2-carboxamide
CID 110003162
1-(2-chloro-4-fluorophenyl)-3-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)urea
CID 111967704
2-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-4-(4-methylphenyl)benzamide
CID 110002765
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-1-methyl-5-phenylpyrrole-2-carboxamide
CID 110003040

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide?
The IUPAC name of 4-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide (CID 110002940) is 4-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide is COCC(C)(CCO)NC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide?
The InChIKey is ZIDJVGBJGYXGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3/c1-13(7-8-16,9-18-2)15-12(17)10-3-5-11(14)6-4-10/h3-6,16H,7-9H2,1-2H3,(H,15,17).
What are the key properties of 4-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide?
4-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide has a molecular weight of 255.29 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide is sourced from PubChem (CID 110002940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).