N-(2-aminoethyl)-2-(3,4-dichlorophenoxy)acetamide;hydrochloride

C10H13Cl3N2O2 — CID 119382882

IUPACN-(2-aminoethyl)-2-(3,4-dichlorophenoxy)acetamide;hydrochloride
SMILESCl.NCCNC(=O)COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H12Cl2N2O2.ClH/c11-8-2-1-7(5-9(8)12)16-6-10(15)14-4-3-13;/h1-2,5H,3-4,6,13H2,(H,14,15);1H
InChIKeyOPPXJQQTSNDHBQ-UHFFFAOYSA-N
MW299.59 g/mol
LogP1.87
Rot. Bonds5

About N-(2-aminoethyl)-2-(3,4-dichlorophenoxy)acetamide;hydrochloride

N-(2-aminoethyl)-2-(3,4-dichlorophenoxy)acetamide;hydrochloride (PubChem CID 119382882) has the molecular formula C10H13Cl3N2O2 and a molecular weight of 299.59 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(3,4-dichlorophenoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(3,4-dichlorophenoxy)acetamide;hydrochloride
PubChem CID119382882
Molecular FormulaC10H13Cl3N2O2
Molecular Weight299.59 g/mol
Exact Mass298.00
IUPAC NameN-(2-aminoethyl)-2-(3,4-dichlorophenoxy)acetamide;hydrochloride
SMILESCl.NCCNC(=O)COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H12Cl2N2O2.ClH/c11-8-2-1-7(5-9(8)12)16-6-10(15)14-4-3-13;/h1-2,5H,3-4,6,13H2,(H,14,15);1H
InChIKeyOPPXJQQTSNDHBQ-UHFFFAOYSA-N
XLogP1.87
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.59
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3,4-dichlorophenoxy)acetyl]amino]ethyl carbamate
CID 175188468
2-(3,4-dichlorophenoxy)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119505786
N-[2-(cyanoamino)ethyl]-2-(3,4-dichlorophenoxy)acetamide
CID 154687601
N-(2-chloroprop-2-enyl)-2-(3,4-dichlorophenoxy)acetamide
CID 115636790
N-(2-aminoethyl)-2-(4-bromophenoxy)acetamide;hydrochloride
CID 119382433
N-(2-aminoethyl)-2-(4-iodophenoxy)acetamide;hydrochloride
CID 119384507
N-(2-aminoethyl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride
CID 119384409
2-(3,4-dichlorophenoxy)-N-(2-thiophen-2-ylethyl)acetamide
CID 7604220
2-(3,4-dichlorophenoxy)-N-[3-(2-fluorophenoxy)propyl]acetamide
CID 39490271
2-(3,4-dichlorophenoxy)-N-[(2-fluorophenyl)methyl]acetamide
CID 9196943
2-(3,4-dichlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119534551
2-(3,4-dichlorophenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 7604221

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(3,4-dichlorophenoxy)acetamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-2-(3,4-dichlorophenoxy)acetamide;hydrochloride (CID 119382882) is N-(2-aminoethyl)-2-(3,4-dichlorophenoxy)acetamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-2-(3,4-dichlorophenoxy)acetamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-2-(3,4-dichlorophenoxy)acetamide;hydrochloride is Cl.NCCNC(=O)COc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(2-aminoethyl)-2-(3,4-dichlorophenoxy)acetamide;hydrochloride?
The InChIKey is OPPXJQQTSNDHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O2.ClH/c11-8-2-1-7(5-9(8)12)16-6-10(15)14-4-3-13;/h1-2,5H,3-4,6,13H2,(H,14,15);1H.
What are the key properties of N-(2-aminoethyl)-2-(3,4-dichlorophenoxy)acetamide;hydrochloride?
N-(2-aminoethyl)-2-(3,4-dichlorophenoxy)acetamide;hydrochloride has a molecular weight of 299.59 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(3,4-dichlorophenoxy)acetamide;hydrochloride is sourced from PubChem (CID 119382882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).