2-(4-chlorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide

C16H20ClNO2 — CID 835819

IUPAC2-(4-chlorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCCC1=CCCCC1
InChIInChI=1S/C16H20ClNO2/c17-14-6-8-15(9-7-14)20-12-16(19)18-11-10-13-4-2-1-3-5-13/h4,6-9H,1-3,5,10-12H2,(H,18,19)
InChIKeyYQLUOPVYFRFEOH-UHFFFAOYSA-N
MW293.79 g/mol
LogP3.73
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide

2-(4-chlorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide (PubChem CID 835819) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
PubChem CID835819
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC Name2-(4-chlorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCCC1=CCCCC1
InChIInChI=1S/C16H20ClNO2/c17-14-6-8-15(9-7-14)20-12-16(19)18-11-10-13-4-2-1-3-5-13/h4,6-9H,1-3,5,10-12H2,(H,18,19)
InChIKeyYQLUOPVYFRFEOH-UHFFFAOYSA-N
XLogP3.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(4-chlorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide (CID 835819) is 2-(4-chlorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide is O=C(COc1ccc(Cl)cc1)NCCC1=CCCCC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The InChIKey is YQLUOPVYFRFEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2/c17-14-6-8-15(9-7-14)20-12-16(19)18-11-10-13-4-2-1-3-5-13/h4,6-9H,1-3,5,10-12H2,(H,18,19).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
2-(4-chlorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide has a molecular weight of 293.79 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide is sourced from PubChem (CID 835819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).