2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride

C14H19Cl3N2O2 — CID 119550666

IUPAC2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)N(C)C1CCNC1.Cl
InChIInChI=1S/C14H18Cl2N2O2.ClH/c1-9(14(19)18(2)11-5-6-17-8-11)20-13-4-3-10(15)7-12(13)16;/h3-4,7,9,11,17H,5-6,8H2,1-2H3;1H
InChIKeyWCENCQJIJOLLKX-UHFFFAOYSA-N
MW353.68 g/mol
LogP3.00
Rot. Bonds4

About 2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride

2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride (PubChem CID 119550666) has the molecular formula C14H19Cl3N2O2 and a molecular weight of 353.68 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
PubChem CID119550666
Molecular FormulaC14H19Cl3N2O2
Molecular Weight353.68 g/mol
Exact Mass352.05
IUPAC Name2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)N(C)C1CCNC1.Cl
InChIInChI=1S/C14H18Cl2N2O2.ClH/c1-9(14(19)18(2)11-5-6-17-8-11)20-13-4-3-10(15)7-12(13)16;/h3-4,7,9,11,17H,5-6,8H2,1-2H3;1H
InChIKeyWCENCQJIJOLLKX-UHFFFAOYSA-N
XLogP3.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.68
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 82177023
N-methyl-N-pyrrolidin-3-yl-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 119552820
N-methyl-2-(4-phenylphenoxy)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119554555
2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride
CID 119554680
2-(2-chloro-5-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119532550
N-methyl-2-(4-phenylphenoxy)-N-pyrrolidin-3-ylpropanamide
CID 119554556
N-cyclobutyl-2-(2,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide
CID 102684163
N,N-di(butan-2-yl)-2-(2,4-dichlorophenoxy)propanamide
CID 4617435
(2S)-2-(2-bromo-4-fluorophenoxy)-N-methyl-N-piperidin-4-ylpropanamide
CID 124571160
2-(2-chloro-4-fluorophenoxy)-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylpropanamide
CID 86944611
5-chloro-N-methyl-2-propoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119550406
2-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119554353

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride (CID 119550666) is 2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride is CC(Oc1ccc(Cl)cc1Cl)C(=O)N(C)C1CCNC1.Cl.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The InChIKey is WCENCQJIJOLLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2.ClH/c1-9(14(19)18(2)11-5-6-17-8-11)20-13-4-3-10(15)7-12(13)16;/h3-4,7,9,11,17H,5-6,8H2,1-2H3;1H.
What are the key properties of 2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride has a molecular weight of 353.68 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride is sourced from PubChem (CID 119550666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).