3-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide

C17H22ClNO — CID 100588830

IUPAC3-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
SMILESO=C(CCc1ccc(Cl)cc1)NCCC1=CCCCC1
InChIInChI=1S/C17H22ClNO/c18-16-9-6-15(7-10-16)8-11-17(20)19-13-12-14-4-2-1-3-5-14/h4,6-7,9-10H,1-3,5,8,11-13H2,(H,19,20)
InChIKeyOCUMYIXOJDFQRB-UHFFFAOYSA-N
MW291.82 g/mol
LogP4.28
Rot. Bonds6

About 3-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide

3-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide (PubChem CID 100588830) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
PubChem CID100588830
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC Name3-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
SMILESO=C(CCc1ccc(Cl)cc1)NCCC1=CCCCC1
InChIInChI=1S/C17H22ClNO/c18-16-9-6-15(7-10-16)8-11-17(20)19-13-12-14-4-2-1-3-5-14/h4,6-7,9-10H,1-3,5,8,11-13H2,(H,19,20)
InChIKeyOCUMYIXOJDFQRB-UHFFFAOYSA-N
XLogP4.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-chlorophenyl)-N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]acetamide
CID 112991074
2-(4-chlorophenyl)sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 958817
4-chloro-N-[2-(cyclohexen-1-yl)ethyl]butanamide
CID 4277806
1-(4-chlorophenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea
CID 703714
4-N-[(4-chlorophenyl)methyl]-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide
CID 109045014
2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 122174912
5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid
CID 2932918
3-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 109014834
N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
CID 64788173
N-[2-(cyclohexen-1-yl)ethyl]-3-(3-phenylpropylamino)propanamide
CID 109014685
2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 46357381
1-(4-chlorophenyl)-3-[2-(cyclohexen-1-yl)ethyl]thiourea
CID 970844

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide (CID 100588830) is 3-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide is O=C(CCc1ccc(Cl)cc1)NCCC1=CCCCC1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
The InChIKey is OCUMYIXOJDFQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO/c18-16-9-6-15(7-10-16)8-11-17(20)19-13-12-14-4-2-1-3-5-14/h4,6-7,9-10H,1-3,5,8,11-13H2,(H,19,20).
What are the key properties of 3-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
3-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide has a molecular weight of 291.82 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide is sourced from PubChem (CID 100588830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).