2-(2,5-dichlorophenoxy)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride

C12H17Cl3N2O2 — CID 119504659

IUPAC2-(2,5-dichlorophenoxy)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
SMILESCCNCCNC(=O)COc1cc(Cl)ccc1Cl.Cl
InChIInChI=1S/C12H16Cl2N2O2.ClH/c1-2-15-5-6-16-12(17)8-18-11-7-9(13)3-4-10(11)14;/h3-4,7,15H,2,5-6,8H2,1H3,(H,16,17);1H
InChIKeyYVDITYIIGKTGKF-UHFFFAOYSA-N
MW327.64 g/mol
LogP2.52
Rot. Bonds7

About 2-(2,5-dichlorophenoxy)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride

2-(2,5-dichlorophenoxy)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride (PubChem CID 119504659) has the molecular formula C12H17Cl3N2O2 and a molecular weight of 327.64 g/mol. Its IUPAC name is 2-(2,5-dichlorophenoxy)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2,5-dichlorophenoxy)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
PubChem CID119504659
Molecular FormulaC12H17Cl3N2O2
Molecular Weight327.64 g/mol
Exact Mass326.04
IUPAC Name2-(2,5-dichlorophenoxy)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
SMILESCCNCCNC(=O)COc1cc(Cl)ccc1Cl.Cl
InChIInChI=1S/C12H16Cl2N2O2.ClH/c1-2-15-5-6-16-12(17)8-18-11-7-9(13)3-4-10(11)14;/h3-4,7,15H,2,5-6,8H2,1H3,(H,16,17);1H
InChIKeyYVDITYIIGKTGKF-UHFFFAOYSA-N
XLogP2.52
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.64
LogP ≤ 52.52
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-(4-chloro-2-methylphenoxy)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119504547
2-(2,5-dichlorophenoxy)-N-(3-ethoxypropyl)acetamide
CID 84601595
2-(2,5-dichlorophenoxy)-N-[2-(dimethylamino)ethyl]acetamide
CID 19165328
2-(3,4-dichlorophenoxy)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119505786
4-[[2-(2,5-dichlorophenoxy)acetyl]amino]butanoic acid
CID 43241696
2-(2,5-dichlorophenoxy)-N-(2-hydroxypropyl)acetamide
CID 43394146
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2,5-dichlorophenoxy)acetamide
CID 18266874
2-(5-chloroquinolin-8-yl)oxy-N-[2-(ethylamino)ethyl]acetamide;dihydrochloride
CID 119505407
2-(2,5-dichlorophenoxy)-N-[3-(4-ethylpiperazin-1-yl)propyl]acetamide
CID 55660167
2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 47115759
2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-ethylpropanamide
CID 24683076
N-(2-acetamidoethyl)-2-(2,4-dichlorophenoxy)acetamide
CID 7942051

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenoxy)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride?
The IUPAC name of 2-(2,5-dichlorophenoxy)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride (CID 119504659) is 2-(2,5-dichlorophenoxy)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(2,5-dichlorophenoxy)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-(2,5-dichlorophenoxy)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride is CCNCCNC(=O)COc1cc(Cl)ccc1Cl.Cl.
What is the InChIKey of 2-(2,5-dichlorophenoxy)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride?
The InChIKey is YVDITYIIGKTGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2.ClH/c1-2-15-5-6-16-12(17)8-18-11-7-9(13)3-4-10(11)14;/h3-4,7,15H,2,5-6,8H2,1H3,(H,16,17);1H.
What are the key properties of 2-(2,5-dichlorophenoxy)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride?
2-(2,5-dichlorophenoxy)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride has a molecular weight of 327.64 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenoxy)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride is sourced from PubChem (CID 119504659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).