2-(3,4-difluorophenoxy)-N-(3,4,5-trimethoxyphenyl)acetamide

C17H17F2NO5 — CID 26216294

IUPAC2-(3,4-difluorophenoxy)-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)COc2ccc(F)c(F)c2)cc(OC)c1OC
InChIInChI=1S/C17H17F2NO5/c1-22-14-6-10(7-15(23-2)17(14)24-3)20-16(21)9-25-11-4-5-12(18)13(19)8-11/h4-8H,9H2,1-3H3,(H,20,21)
InChIKeyWHMDLYAGUMOHHL-UHFFFAOYSA-N
MW353.32 g/mol
LogP3.01
Rot. Bonds7

About 2-(3,4-difluorophenoxy)-N-(3,4,5-trimethoxyphenyl)acetamide

2-(3,4-difluorophenoxy)-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 26216294) has the molecular formula C17H17F2NO5 and a molecular weight of 353.32 g/mol. Its IUPAC name is 2-(3,4-difluorophenoxy)-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenoxy)-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID26216294
Molecular FormulaC17H17F2NO5
Molecular Weight353.32 g/mol
Exact Mass353.11
IUPAC Name2-(3,4-difluorophenoxy)-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)COc2ccc(F)c(F)c2)cc(OC)c1OC
InChIInChI=1S/C17H17F2NO5/c1-22-14-6-10(7-15(23-2)17(14)24-3)20-16(21)9-25-11-4-5-12(18)13(19)8-11/h4-8H,9H2,1-3H3,(H,20,21)
InChIKeyWHMDLYAGUMOHHL-UHFFFAOYSA-N
XLogP3.01
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[2-oxo-2-(3,4,5-trimethoxyanilino)ethoxy]benzoate
CID 2495618
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-(4-chlorophenoxy)acetate
CID 35943053
N-(3-amino-4-fluorophenyl)-2-(3,4-difluorophenoxy)acetamide
CID 43554704
2-(2-tert-butylphenoxy)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 24536655
2-[(3,4-difluorophenyl)methyl-methylamino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 30796172
N-(3,4-difluorophenyl)-2-(4-ethoxyphenoxy)acetamide
CID 7613478
2-(4-acetamidophenoxy)-N-(3,4-difluorophenyl)acetamide
CID 7203483
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] acetate
CID 1252029
2-(4-acetyl-2-methoxyphenoxy)-N-(3,4-difluorophenyl)acetamide
CID 7771685
N-(3,4-dimethoxyphenyl)-2-(3-fluorophenoxy)acetamide
CID 2711600
2-[2-(3,4-difluoroanilino)-2-oxoethoxy]-4-methoxybenzamide
CID 18085786
2-(4-fluorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9012523

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenoxy)-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-(3,4-difluorophenoxy)-N-(3,4,5-trimethoxyphenyl)acetamide (CID 26216294) is 2-(3,4-difluorophenoxy)-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(3,4-difluorophenoxy)-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-(3,4-difluorophenoxy)-N-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(NC(=O)COc2ccc(F)c(F)c2)cc(OC)c1OC.
What is the InChIKey of 2-(3,4-difluorophenoxy)-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is WHMDLYAGUMOHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO5/c1-22-14-6-10(7-15(23-2)17(14)24-3)20-16(21)9-25-11-4-5-12(18)13(19)8-11/h4-8H,9H2,1-3H3,(H,20,21).
What are the key properties of 2-(3,4-difluorophenoxy)-N-(3,4,5-trimethoxyphenyl)acetamide?
2-(3,4-difluorophenoxy)-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 353.32 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenoxy)-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 26216294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).