2,6-difluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide

C12H15F2NO3 — CID 56724191

IUPAC2,6-difluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide
SMILESCOCC(C)(O)CNC(=O)c1c(F)cccc1F
InChIInChI=1S/C12H15F2NO3/c1-12(17,7-18-2)6-15-11(16)10-8(13)4-3-5-9(10)14/h3-5,17H,6-7H2,1-2H3,(H,15,16)
InChIKeyQSELWASAUDGJIV-UHFFFAOYSA-N
MW259.25 g/mol
LogP1.09
Rot. Bonds5

About 2,6-difluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide

2,6-difluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide (PubChem CID 56724191) has the molecular formula C12H15F2NO3 and a molecular weight of 259.25 g/mol. Its IUPAC name is 2,6-difluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide
PubChem CID56724191
Molecular FormulaC12H15F2NO3
Molecular Weight259.25 g/mol
Exact Mass259.10
IUPAC Name2,6-difluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide
SMILESCOCC(C)(O)CNC(=O)c1c(F)cccc1F
InChIInChI=1S/C12H15F2NO3/c1-12(17,7-18-2)6-15-11(16)10-8(13)4-3-5-9(10)14/h3-5,17H,6-7H2,1-2H3,(H,15,16)
InChIKeyQSELWASAUDGJIV-UHFFFAOYSA-N
XLogP1.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide?
The IUPAC name of 2,6-difluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide (CID 56724191) is 2,6-difluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide.
What is the SMILES notation for 2,6-difluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide?
The canonical SMILES for 2,6-difluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide is COCC(C)(O)CNC(=O)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide?
The InChIKey is QSELWASAUDGJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO3/c1-12(17,7-18-2)6-15-11(16)10-8(13)4-3-5-9(10)14/h3-5,17H,6-7H2,1-2H3,(H,15,16).
What are the key properties of 2,6-difluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide?
2,6-difluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide has a molecular weight of 259.25 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide is sourced from PubChem (CID 56724191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).