4-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3,5-dimethylbenzamide

C15H22FNO3 — CID 110002811

IUPAC4-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3,5-dimethylbenzamide
SMILESCOCC(C)(CCO)NC(=O)c1cc(C)c(F)c(C)c1
InChIInChI=1S/C15H22FNO3/c1-10-7-12(8-11(2)13(10)16)14(19)17-15(3,5-6-18)9-20-4/h7-8,18H,5-6,9H2,1-4H3,(H,17,19)
InChIKeyCRRBESQWWYJXSA-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.96
Rot. Bonds6

About 4-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3,5-dimethylbenzamide

4-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3,5-dimethylbenzamide (PubChem CID 110002811) has the molecular formula C15H22FNO3 and a molecular weight of 283.34 g/mol. Its IUPAC name is 4-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3,5-dimethylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3,5-dimethylbenzamide
PubChem CID110002811
Molecular FormulaC15H22FNO3
Molecular Weight283.34 g/mol
Exact Mass283.16
IUPAC Name4-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3,5-dimethylbenzamide
SMILESCOCC(C)(CCO)NC(=O)c1cc(C)c(F)c(C)c1
InChIInChI=1S/C15H22FNO3/c1-10-7-12(8-11(2)13(10)16)14(19)17-15(3,5-6-18)9-20-4/h7-8,18H,5-6,9H2,1-4H3,(H,17,19)
InChIKeyCRRBESQWWYJXSA-UHFFFAOYSA-N
XLogP1.96
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.96
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)benzamide
CID 110002940
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-5-methylpyridine-3-carboxamide
CID 110002826
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)naphthalene-2-carboxamide
CID 110003171
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-4-methylthiophene-3-carboxamide
CID 110003125
4-chloro-2-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide
CID 110003172
2-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-4-(4-methylphenyl)benzamide
CID 110002765
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
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)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 110002937
5-(4-chlorophenyl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)pyridine-3-carboxamide
CID 110002777

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3,5-dimethylbenzamide?
The IUPAC name of 4-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3,5-dimethylbenzamide (CID 110002811) is 4-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3,5-dimethylbenzamide.
What is the SMILES notation for 4-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3,5-dimethylbenzamide?
The canonical SMILES for 4-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3,5-dimethylbenzamide is COCC(C)(CCO)NC(=O)c1cc(C)c(F)c(C)c1.
What is the InChIKey of 4-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3,5-dimethylbenzamide?
The InChIKey is CRRBESQWWYJXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO3/c1-10-7-12(8-11(2)13(10)16)14(19)17-15(3,5-6-18)9-20-4/h7-8,18H,5-6,9H2,1-4H3,(H,17,19).
What are the key properties of 4-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3,5-dimethylbenzamide?
4-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3,5-dimethylbenzamide has a molecular weight of 283.34 g/mol, XLogP of 1.96, 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)-3,5-dimethylbenzamide is sourced from PubChem (CID 110002811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).