2-(3,4-dichlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride

C13H19Cl3N2O2 — CID 119505468

IUPAC2-(3,4-dichlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
SMILESCCNCCNC(=O)C(C)Oc1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C13H18Cl2N2O2.ClH/c1-3-16-6-7-17-13(18)9(2)19-10-4-5-11(14)12(15)8-10;/h4-5,8-9,16H,3,6-7H2,1-2H3,(H,17,18);1H
InChIKeyYHOKLRQBPUVNQM-UHFFFAOYSA-N
MW341.67 g/mol
LogP2.91
Rot. Bonds7

About 2-(3,4-dichlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride

2-(3,4-dichlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride (PubChem CID 119505468) has the molecular formula C13H19Cl3N2O2 and a molecular weight of 341.67 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
PubChem CID119505468
Molecular FormulaC13H19Cl3N2O2
Molecular Weight341.67 g/mol
Exact Mass340.05
IUPAC Name2-(3,4-dichlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
SMILESCCNCCNC(=O)C(C)Oc1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C13H18Cl2N2O2.ClH/c1-3-16-6-7-17-13(18)9(2)19-10-4-5-11(14)12(15)8-10;/h4-5,8-9,16H,3,6-7H2,1-2H3,(H,17,18);1H
InChIKeyYHOKLRQBPUVNQM-UHFFFAOYSA-N
XLogP2.91
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.67
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide
CID 78889646
2-(3-chlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119506597
2-(3,4-dichlorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119430309
2-(3,4-dichlorophenoxy)-N-(3-methylbutyl)propanamide
CID 134038130
2-(3,4-dichlorophenoxy)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119505786
2-(2-chlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119506587
N-[2-(ethylamino)ethyl]-2-(3-methylphenoxy)propanamide
CID 119504615
N-[2-(ethylamino)ethyl]-2-(4-phenylphenoxy)propanamide
CID 119509338
(2R)-2-(3,4-dichlorophenoxy)-N-[(1-hydroxycyclobutyl)methyl]propanamide
CID 95774668
2-(3,4-dichlorophenoxy)-N-propan-2-ylpropanamide
CID 47109802
2-(3-acetylphenoxy)-N-[2-(ethylamino)ethyl]propanamide
CID 119505122
2-(3,4-dichlorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide
CID 110895980

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride?
The IUPAC name of 2-(3,4-dichlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride (CID 119505468) is 2-(3,4-dichlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride is CCNCCNC(=O)C(C)Oc1ccc(Cl)c(Cl)c1.Cl.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride?
The InChIKey is YHOKLRQBPUVNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O2.ClH/c1-3-16-6-7-17-13(18)9(2)19-10-4-5-11(14)12(15)8-10;/h4-5,8-9,16H,3,6-7H2,1-2H3,(H,17,18);1H.
What are the key properties of 2-(3,4-dichlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride?
2-(3,4-dichlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride has a molecular weight of 341.67 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 119505468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).