2-(4-acetamidophenoxy)-N-[2-(4-chlorophenyl)ethyl]acetamide

C18H19ClN2O3 — CID 2468629

IUPAC2-(4-acetamidophenoxy)-N-[2-(4-chlorophenyl)ethyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(=O)NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClN2O3/c1-13(22)21-16-6-8-17(9-7-16)24-12-18(23)20-11-10-14-2-4-15(19)5-3-14/h2-9H,10-12H2,1H3,(H,20,23)(H,21,22)
InChIKeyCKNSHZDTFYNIRG-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.04
Rot. Bonds7

About 2-(4-acetamidophenoxy)-N-[2-(4-chlorophenyl)ethyl]acetamide

2-(4-acetamidophenoxy)-N-[2-(4-chlorophenyl)ethyl]acetamide (PubChem CID 2468629) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 2-(4-acetamidophenoxy)-N-[2-(4-chlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenoxy)-N-[2-(4-chlorophenyl)ethyl]acetamide
PubChem CID2468629
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name2-(4-acetamidophenoxy)-N-[2-(4-chlorophenyl)ethyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(=O)NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClN2O3/c1-13(22)21-16-6-8-17(9-7-16)24-12-18(23)20-11-10-14-2-4-15(19)5-3-14/h2-9H,10-12H2,1H3,(H,20,23)(H,21,22)
InChIKeyCKNSHZDTFYNIRG-UHFFFAOYSA-N
XLogP3.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenoxy)-N-[2-(4-chlorophenyl)ethyl]acetamide?
The IUPAC name of 2-(4-acetamidophenoxy)-N-[2-(4-chlorophenyl)ethyl]acetamide (CID 2468629) is 2-(4-acetamidophenoxy)-N-[2-(4-chlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-acetamidophenoxy)-N-[2-(4-chlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-acetamidophenoxy)-N-[2-(4-chlorophenyl)ethyl]acetamide is CC(=O)Nc1ccc(OCC(=O)NCCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-acetamidophenoxy)-N-[2-(4-chlorophenyl)ethyl]acetamide?
The InChIKey is CKNSHZDTFYNIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-13(22)21-16-6-8-17(9-7-16)24-12-18(23)20-11-10-14-2-4-15(19)5-3-14/h2-9H,10-12H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 2-(4-acetamidophenoxy)-N-[2-(4-chlorophenyl)ethyl]acetamide?
2-(4-acetamidophenoxy)-N-[2-(4-chlorophenyl)ethyl]acetamide has a molecular weight of 346.81 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenoxy)-N-[2-(4-chlorophenyl)ethyl]acetamide is sourced from PubChem (CID 2468629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).