3-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-methylbenzamide

C14H20FNO3 — CID 103712284

IUPAC3-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-methylbenzamide
SMILESCOCCC(C)(O)CNC(=O)c1ccc(C)c(F)c1
InChIInChI=1S/C14H20FNO3/c1-10-4-5-11(8-12(10)15)13(17)16-9-14(2,18)6-7-19-3/h4-5,8,18H,6-7,9H2,1-3H3,(H,16,17)
InChIKeyLVFYSTNAHPPCOP-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.65
Rot. Bonds6

About 3-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-methylbenzamide

3-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-methylbenzamide (PubChem CID 103712284) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 3-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-methylbenzamide
PubChem CID103712284
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Name3-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-methylbenzamide
SMILESCOCCC(C)(O)CNC(=O)c1ccc(C)c(F)c1
InChIInChI=1S/C14H20FNO3/c1-10-4-5-11(8-12(10)15)13(17)16-9-14(2,18)6-7-19-3/h4-5,8,18H,6-7,9H2,1-3H3,(H,16,17)
InChIKeyLVFYSTNAHPPCOP-UHFFFAOYSA-N
XLogP1.65
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 103712736
3-fluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylbenzamide
CID 111436034
3,4-dihydroxy-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 103957337
N-(2-hydroxy-4-methoxy-2-methylbutyl)-3,5-dimethylbenzamide
CID 103712743
4-amino-3-hydroxy-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 106249241
3-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 106249245
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2,5-dimethylbenzamide
CID 103712693
N-(2-hydroxy-4-methoxy-2-methylbutyl)quinoxaline-6-carboxamide
CID 103712673
3-bromo-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-methoxybenzamide
CID 103712520
N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-(methoxymethyl)benzamide
CID 103712392
3-fluoro-N-[2-(3-methoxypropanoylamino)ethyl]-4-methylbenzamide
CID 51108496
3-fluoro-N-(2-methoxyethoxy)-4-methylbenzamide
CID 79672875

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-methylbenzamide?
The IUPAC name of 3-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-methylbenzamide (CID 103712284) is 3-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-methylbenzamide.
What is the SMILES notation for 3-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-methylbenzamide?
The canonical SMILES for 3-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-methylbenzamide is COCCC(C)(O)CNC(=O)c1ccc(C)c(F)c1.
What is the InChIKey of 3-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-methylbenzamide?
The InChIKey is LVFYSTNAHPPCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-10-4-5-11(8-12(10)15)13(17)16-9-14(2,18)6-7-19-3/h4-5,8,18H,6-7,9H2,1-3H3,(H,16,17).
What are the key properties of 3-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-methylbenzamide?
3-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-methylbenzamide has a molecular weight of 269.32 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-methylbenzamide is sourced from PubChem (CID 103712284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).