2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide

C13H16Cl2N2O2 — CID 82177023

IUPAC2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide
SMILESCN(C(=O)COc1ccc(Cl)cc1Cl)C1CCNC1
InChIInChI=1S/C13H16Cl2N2O2/c1-17(10-4-5-16-7-10)13(18)8-19-12-3-2-9(14)6-11(12)15/h2-3,6,10,16H,4-5,7-8H2,1H3
InChIKeyQTWXBSPSSIVYSI-UHFFFAOYSA-N
MW303.19 g/mol
LogP2.19
Rot. Bonds4

About 2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide

2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide (PubChem CID 82177023) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide
PubChem CID82177023
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC Name2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide
SMILESCN(C(=O)COc1ccc(Cl)cc1Cl)C1CCNC1
InChIInChI=1S/C13H16Cl2N2O2/c1-17(10-4-5-16-7-10)13(18)8-19-12-3-2-9(14)6-11(12)15/h2-3,6,10,16H,4-5,7-8H2,1H3
InChIKeyQTWXBSPSSIVYSI-UHFFFAOYSA-N
XLogP2.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-fluorophenoxy)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119441205
2-(2,4-dichlorophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 110830692
2-(2-methoxy-4-methylphenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119553158
2-(4-bromo-2-fluorophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119553015
3-(2-chloro-4-fluorophenoxy)-N-methyl-N-[(3R)-pyrrolidin-3-yl]propanamide
CID 124613703
2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119550666
2-(2-methoxyphenoxy)-N-methyl-N-[(3R)-pyrrolidin-3-yl]acetamide
CID 94803435
2-(2-amino-4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide
CID 54956878
2-(2-chloro-4-fluorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119529852
2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride
CID 119554680
2-[(2,4-dichlorophenyl)methylsulfanyl]-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119551541
5-chloro-N-methyl-2-propoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119550406

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide (CID 82177023) is 2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide is CN(C(=O)COc1ccc(Cl)cc1Cl)C1CCNC1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide?
The InChIKey is QTWXBSPSSIVYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c1-17(10-4-5-16-7-10)13(18)8-19-12-3-2-9(14)6-11(12)15/h2-3,6,10,16H,4-5,7-8H2,1H3.
What are the key properties of 2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide?
2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide has a molecular weight of 303.19 g/mol, XLogP of 2.19, 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-ylacetamide is sourced from PubChem (CID 82177023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).