2-(4-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide

C17H18ClNO3 — CID 793951

IUPAC2-(4-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNO3/c1-21-15-6-2-13(3-7-15)10-11-19-17(20)12-22-16-8-4-14(18)5-9-16/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeySSPSQIIODNARMP-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.09
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide

2-(4-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 793951) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
PubChem CID793951
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC Name2-(4-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNO3/c1-21-15-6-2-13(3-7-15)10-11-19-17(20)12-22-16-8-4-14(18)5-9-16/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeySSPSQIIODNARMP-UHFFFAOYSA-N
XLogP3.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide (CID 793951) is 2-(4-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)COc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is SSPSQIIODNARMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-21-15-6-2-13(3-7-15)10-11-19-17(20)12-22-16-8-4-14(18)5-9-16/h2-9H,10-12H2,1H3,(H,19,20).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
2-(4-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 319.79 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 793951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).