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

C17H21Cl2NO2 — CID 2899212

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dichlorophenoxy)propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C17H21Cl2NO2/c1-12(22-16-8-7-14(18)11-15(16)19)17(21)20-10-9-13-5-3-2-4-6-13/h5,7-8,11-12H,2-4,6,9-10H2,1H3,(H,20,21)
InChIKeyGZKIOEGCTTVCAF-UHFFFAOYSA-N
MW342.27 g/mol
LogP4.77
Rot. Bonds6

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

N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dichlorophenoxy)propanamide (PubChem CID 2899212) has the molecular formula C17H21Cl2NO2 and a molecular weight of 342.27 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dichlorophenoxy)propanamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dichlorophenoxy)propanamide
PubChem CID2899212
Molecular FormulaC17H21Cl2NO2
Molecular Weight342.27 g/mol
Exact Mass341.09
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dichlorophenoxy)propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C17H21Cl2NO2/c1-12(22-16-8-7-14(18)11-15(16)19)17(21)20-10-9-13-5-3-2-4-6-13/h5,7-8,11-12H,2-4,6,9-10H2,1H3,(H,20,21)
InChIKeyGZKIOEGCTTVCAF-UHFFFAOYSA-N
XLogP4.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.27
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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-(2,4-dichlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 2557714
2-(2-chlorophenoxy)-N-(1-phenylethyl)acetamide
CID 2787215
2-(4-chlorophenoxy)-N-cyclopentylbutanamide
CID 6473403
4-(2,4-dichlorophenoxy)-N-(tetrahydro-2-furanylmethyl)butanamide
CID 2843381
4-[2-(2-Chlorophenoxy)propanoyl]morpholine
CID 3620543
2-(2,4-dichlorophenoxy)-N-propan-2-ylacetamide
CID 684074
Methyl 1-[2-(2,4-dichlorophenoxy)propanoyl]piperidine-4-carboxylate
CID 2940357

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dichlorophenoxy)propanamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dichlorophenoxy)propanamide (CID 2899212) is N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dichlorophenoxy)propanamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dichlorophenoxy)propanamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dichlorophenoxy)propanamide is CC(Oc1ccc(Cl)cc1Cl)C(=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dichlorophenoxy)propanamide?
The InChIKey is GZKIOEGCTTVCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2NO2/c1-12(22-16-8-7-14(18)11-15(16)19)17(21)20-10-9-13-5-3-2-4-6-13/h5,7-8,11-12H,2-4,6,9-10H2,1H3,(H,20,21).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dichlorophenoxy)propanamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dichlorophenoxy)propanamide has a molecular weight of 342.27 g/mol, XLogP of 4.77, 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)propanamide is sourced from PubChem (CID 2899212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).