3-[2-(3,4-difluorophenyl)-2-hydroxyethoxy]-N,N,4-trimethylbenzamide

C18H19F2NO3 — CID 109416246

IUPAC3-[2-(3,4-difluorophenyl)-2-hydroxyethoxy]-N,N,4-trimethylbenzamide
SMILESCc1ccc(C(=O)N(C)C)cc1OCC(O)c1ccc(F)c(F)c1
InChIInChI=1S/C18H19F2NO3/c1-11-4-5-13(18(23)21(2)3)9-17(11)24-10-16(22)12-6-7-14(19)15(20)8-12/h4-9,16,22H,10H2,1-3H3
InChIKeyIDPIAJSYWGBBGQ-UHFFFAOYSA-N
MW335.35 g/mol
LogP3.09
Rot. Bonds5

About 3-[2-(3,4-difluorophenyl)-2-hydroxyethoxy]-N,N,4-trimethylbenzamide

3-[2-(3,4-difluorophenyl)-2-hydroxyethoxy]-N,N,4-trimethylbenzamide (PubChem CID 109416246) has the molecular formula C18H19F2NO3 and a molecular weight of 335.35 g/mol. Its IUPAC name is 3-[2-(3,4-difluorophenyl)-2-hydroxyethoxy]-N,N,4-trimethylbenzamide.

Molecular Properties

Compound Name3-[2-(3,4-difluorophenyl)-2-hydroxyethoxy]-N,N,4-trimethylbenzamide
PubChem CID109416246
Molecular FormulaC18H19F2NO3
Molecular Weight335.35 g/mol
Exact Mass335.13
IUPAC Name3-[2-(3,4-difluorophenyl)-2-hydroxyethoxy]-N,N,4-trimethylbenzamide
SMILESCc1ccc(C(=O)N(C)C)cc1OCC(O)c1ccc(F)c(F)c1
InChIInChI=1S/C18H19F2NO3/c1-11-4-5-13(18(23)21(2)3)9-17(11)24-10-16(22)12-6-7-14(19)15(20)8-12/h4-9,16,22H,10H2,1-3H3
InChIKeyIDPIAJSYWGBBGQ-UHFFFAOYSA-N
XLogP3.09
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(3-chlorophenyl)-2-hydroxyethoxy]-N,N,4-trimethylbenzamide
CID 109416258
3-[2-hydroxy-2-(4-methylphenyl)ethoxy]-4-methylbenzamide
CID 109416412
3-[2-(4-fluorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide
CID 109416235
2-(2,5-difluorophenoxy)-1-(3,4-dimethylphenyl)ethanol
CID 63269758
3-[2-(3-fluoro-4-methoxyphenyl)-2-hydroxyethoxy]-4-methylbenzonitrile
CID 109416668
2-(5-fluoro-2-methylphenoxy)-1-(4-methylphenyl)ethanol
CID 102977758
1-(3,4-difluorophenyl)-2-(2-methoxy-4-nitrophenoxy)ethanol
CID 109415749
CID 58229825
CID 58229825
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-3,4-difluorobenzamide
CID 90581425
2-(2-fluoro-5-methylphenoxy)-1-(4-methylphenyl)ethanol
CID 64854475
4-[2-(2,6-difluorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide
CID 109416261
1-(4-methylphenyl)-2-(2-methyl-5-propan-2-ylphenoxy)ethanol
CID 63466297

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-difluorophenyl)-2-hydroxyethoxy]-N,N,4-trimethylbenzamide?
The IUPAC name of 3-[2-(3,4-difluorophenyl)-2-hydroxyethoxy]-N,N,4-trimethylbenzamide (CID 109416246) is 3-[2-(3,4-difluorophenyl)-2-hydroxyethoxy]-N,N,4-trimethylbenzamide.
What is the SMILES notation for 3-[2-(3,4-difluorophenyl)-2-hydroxyethoxy]-N,N,4-trimethylbenzamide?
The canonical SMILES for 3-[2-(3,4-difluorophenyl)-2-hydroxyethoxy]-N,N,4-trimethylbenzamide is Cc1ccc(C(=O)N(C)C)cc1OCC(O)c1ccc(F)c(F)c1.
What is the InChIKey of 3-[2-(3,4-difluorophenyl)-2-hydroxyethoxy]-N,N,4-trimethylbenzamide?
The InChIKey is IDPIAJSYWGBBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO3/c1-11-4-5-13(18(23)21(2)3)9-17(11)24-10-16(22)12-6-7-14(19)15(20)8-12/h4-9,16,22H,10H2,1-3H3.
What are the key properties of 3-[2-(3,4-difluorophenyl)-2-hydroxyethoxy]-N,N,4-trimethylbenzamide?
3-[2-(3,4-difluorophenyl)-2-hydroxyethoxy]-N,N,4-trimethylbenzamide has a molecular weight of 335.35 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-difluorophenyl)-2-hydroxyethoxy]-N,N,4-trimethylbenzamide is sourced from PubChem (CID 109416246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).