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

C14H19Cl3N2O2 — CID 119534551

IUPAC2-(3,4-dichlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
SMILESCl.O=C(COc1ccc(Cl)c(Cl)c1)NCCC1CCNC1
InChIInChI=1S/C14H18Cl2N2O2.ClH/c15-12-2-1-11(7-13(12)16)20-9-14(19)18-6-4-10-3-5-17-8-10;/h1-2,7,10,17H,3-6,8-9H2,(H,18,19);1H
InChIKeyPIUCXLSQPJUFDY-UHFFFAOYSA-N
MW353.68 g/mol
LogP2.91
Rot. Bonds6

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

2-(3,4-dichlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride (PubChem CID 119534551) has the molecular formula C14H19Cl3N2O2 and a molecular weight of 353.68 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
PubChem CID119534551
Molecular FormulaC14H19Cl3N2O2
Molecular Weight353.68 g/mol
Exact Mass352.05
IUPAC Name2-(3,4-dichlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
SMILESCl.O=C(COc1ccc(Cl)c(Cl)c1)NCCC1CCNC1
InChIInChI=1S/C14H18Cl2N2O2.ClH/c15-12-2-1-11(7-13(12)16)20-9-14(19)18-6-4-10-3-5-17-8-10;/h1-2,7,10,17H,3-6,8-9H2,(H,18,19);1H
InChIKeyPIUCXLSQPJUFDY-UHFFFAOYSA-N
XLogP2.91
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.68
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3,4-dichlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride 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

2-(4-chloro-3-methylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119535909
2-(4-chlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 63624340
2-(4-propan-2-ylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119536634
2-(3,4-dichlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)propanamide
CID 119534233
2-(3-acetylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119537117
2-(3,4-dichlorophenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119386912
2-(2-chloro-4-phenylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119534791
2-(3-methoxy-4-nitrophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119534991
4-(3,4-dimethylphenoxy)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride
CID 119538281
N-(2-piperidin-3-ylethyl)-2-(4-propoxyphenoxy)acetamide;hydrochloride
CID 119555166
1-(3,4-dichlorophenyl)-3-(2-pyrrolidin-3-ylethyl)urea
CID 63622133
N-(2-aminoethyl)-2-(3,4-dichlorophenoxy)acetamide;hydrochloride
CID 119382882

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride?
The IUPAC name of 2-(3,4-dichlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride (CID 119534551) is 2-(3,4-dichlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride is Cl.O=C(COc1ccc(Cl)c(Cl)c1)NCCC1CCNC1.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride?
The InChIKey is PIUCXLSQPJUFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2.ClH/c15-12-2-1-11(7-13(12)16)20-9-14(19)18-6-4-10-3-5-17-8-10;/h1-2,7,10,17H,3-6,8-9H2,(H,18,19);1H.
What are the key properties of 2-(3,4-dichlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride?
2-(3,4-dichlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride has a molecular weight of 353.68 g/mol, XLogP of 2.91, 6 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-pyrrolidin-3-ylethyl)acetamide;hydrochloride is sourced from PubChem (CID 119534551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).