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

C16H19Cl2NO2 — CID 695016

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dichlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NCCC1=CCCCC1
InChIInChI=1S/C16H19Cl2NO2/c17-13-6-7-15(14(18)10-13)21-11-16(20)19-9-8-12-4-2-1-3-5-12/h4,6-7,10H,1-3,5,8-9,11H2,(H,19,20)
InChIKeyFDWQHONUMWVKJA-UHFFFAOYSA-N
MW328.24 g/mol
LogP4.38
Rot. Bonds6

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

N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dichlorophenoxy)acetamide (PubChem CID 695016) has the molecular formula C16H19Cl2NO2 and a molecular weight of 328.24 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dichlorophenoxy)acetamide
PubChem CID695016
Molecular FormulaC16H19Cl2NO2
Molecular Weight328.24 g/mol
Exact Mass327.08
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dichlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NCCC1=CCCCC1
InChIInChI=1S/C16H19Cl2NO2/c17-13-6-7-15(14(18)10-13)21-11-16(20)19-9-8-12-4-2-1-3-5-12/h4,6-7,10H,1-3,5,8-9,11H2,(H,19,20)
InChIKeyFDWQHONUMWVKJA-UHFFFAOYSA-N
XLogP4.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dichlorophenoxy)acetamide 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

Acetamide, 2-(4-chlorophenoxy)-N-(2-(1-pyrrolidinyl)ethyl)-, monohydrochloride
CID 3052206
2-(4-chlorophenoxy)-N-cyclohexyl-2-methylpropanamide
CID 5070146
Acetamide, 2-(2,4-dichlorophenoxy)-N-(2-(diethylamino)ethyl)-
CID 206267
2-(2,4-dichlorophenoxy)-N-[2-(dimethylamino)ethyl]acetamide
CID 1571645
N-benzyl-2-(2-chlorophenoxy)acetamide
CID 707236
2-chloro-N-[2-(2,4-dichlorophenoxy)ethyl]acetamide
CID 3614497
2-(4-chlorophenoxy)-N-(4-(2-(4-chlorophenoxy)acetamido)cyclohexyl)acetamide
CID 1011240
2-(2,4-dichlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 2557714
2-(2-chlorophenoxy)-N-(1-phenylethyl)acetamide
CID 2787215
[2-[(2-Methylcyclohexyl)amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 4242947
4-(2,4-dichlorophenoxy)-N-(tetrahydro-2-furanylmethyl)butanamide
CID 2843381
1-((2-Chlorophenoxy)acetyl)piperazine
CID 3481726

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dichlorophenoxy)acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dichlorophenoxy)acetamide (CID 695016) is N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dichlorophenoxy)acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dichlorophenoxy)acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dichlorophenoxy)acetamide is O=C(COc1ccc(Cl)cc1Cl)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dichlorophenoxy)acetamide?
The InChIKey is FDWQHONUMWVKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2NO2/c17-13-6-7-15(14(18)10-13)21-11-16(20)19-9-8-12-4-2-1-3-5-12/h4,6-7,10H,1-3,5,8-9,11H2,(H,19,20).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dichlorophenoxy)acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dichlorophenoxy)acetamide has a molecular weight of 328.24 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dichlorophenoxy)acetamide is sourced from PubChem (CID 695016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).