2-(2,6-dichlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide

C17H17Cl2NO2 — CID 2096272

IUPAC2-(2,6-dichlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)Cc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C17H17Cl2NO2/c1-22-13-7-5-12(6-8-13)9-10-20-17(21)11-14-15(18)3-2-4-16(14)19/h2-8H,9-11H2,1H3,(H,20,21)
InChIKeyGIZNATUQQJEOGH-UHFFFAOYSA-N
MW338.23 g/mol
LogP3.90
Rot. Bonds6

About 2-(2,6-dichlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide

2-(2,6-dichlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 2096272) has the molecular formula C17H17Cl2NO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
PubChem CID2096272
Molecular FormulaC17H17Cl2NO2
Molecular Weight338.23 g/mol
Exact Mass337.06
IUPAC Name2-(2,6-dichlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)Cc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C17H17Cl2NO2/c1-22-13-7-5-12(6-8-13)9-10-20-17(21)11-14-15(18)3-2-4-16(14)19/h2-8H,9-11H2,1H3,(H,20,21)
InChIKeyGIZNATUQQJEOGH-UHFFFAOYSA-N
XLogP3.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(2,6-dichlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide (CID 2096272) is 2-(2,6-dichlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)Cc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is GIZNATUQQJEOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO2/c1-22-13-7-5-12(6-8-13)9-10-20-17(21)11-14-15(18)3-2-4-16(14)19/h2-8H,9-11H2,1H3,(H,20,21).
What are the key properties of 2-(2,6-dichlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
2-(2,6-dichlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 338.23 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 2096272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).