4-[2-(2,6-difluorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide

C17H17F2NO3 — CID 109416261

IUPAC4-[2-(2,6-difluorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(OCC(O)c2c(F)cccc2F)cc1
InChIInChI=1S/C17H17F2NO3/c1-20(2)17(22)11-6-8-12(9-7-11)23-10-15(21)16-13(18)4-3-5-14(16)19/h3-9,15,21H,10H2,1-2H3
InChIKeyADQOORTVKOYFIB-UHFFFAOYSA-N
MW321.32 g/mol
LogP2.78
Rot. Bonds5

About 4-[2-(2,6-difluorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide

4-[2-(2,6-difluorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide (PubChem CID 109416261) has the molecular formula C17H17F2NO3 and a molecular weight of 321.32 g/mol. Its IUPAC name is 4-[2-(2,6-difluorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[2-(2,6-difluorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide
PubChem CID109416261
Molecular FormulaC17H17F2NO3
Molecular Weight321.32 g/mol
Exact Mass321.12
IUPAC Name4-[2-(2,6-difluorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(OCC(O)c2c(F)cccc2F)cc1
InChIInChI=1S/C17H17F2NO3/c1-20(2)17(22)11-6-8-12(9-7-11)23-10-15(21)16-13(18)4-3-5-14(16)19/h3-9,15,21H,10H2,1-2H3
InChIKeyADQOORTVKOYFIB-UHFFFAOYSA-N
XLogP2.78
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2-chlorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide
CID 109416264
3-[2-(4-fluorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide
CID 109416235
N,N-dimethyl-4-(2-phenoxyethoxy)benzamide
CID 28639806
2-(4-chlorophenoxy)-1-(2,6-difluoro-3-methylphenyl)ethanol
CID 105121637
N-(2-hydroxypropyl)-N-methyl-4-(2-methylpropoxy)benzamide
CID 55061119
3-[2-(3,4-difluorophenyl)-2-hydroxyethoxy]-N,N,4-trimethylbenzamide
CID 109416246
2-(3-chlorophenoxy)-1-(2,6-difluoro-3-methylphenyl)ethanol
CID 105121642
2-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-N,N-dimethylacetamide
CID 60901983
N,N-diethyl-3-[2-(2-fluorophenyl)-2-hydroxyethoxy]benzamide
CID 109416737
N,N-diethyl-4-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethoxy]benzamide
CID 109416721
6-[2-(2,6-difluorophenyl)-2-hydroxyethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 109403412
(2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-(4-ethoxyphenyl)acetamide
CID 97101214

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,6-difluorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide?
The IUPAC name of 4-[2-(2,6-difluorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide (CID 109416261) is 4-[2-(2,6-difluorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[2-(2,6-difluorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[2-(2,6-difluorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(OCC(O)c2c(F)cccc2F)cc1.
What is the InChIKey of 4-[2-(2,6-difluorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide?
The InChIKey is ADQOORTVKOYFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO3/c1-20(2)17(22)11-6-8-12(9-7-11)23-10-15(21)16-13(18)4-3-5-14(16)19/h3-9,15,21H,10H2,1-2H3.
What are the key properties of 4-[2-(2,6-difluorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide?
4-[2-(2,6-difluorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide has a molecular weight of 321.32 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,6-difluorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide is sourced from PubChem (CID 109416261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).