[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-ethoxyacetate

C13H15Cl2NO4 — CID 2563937

IUPAC[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-ethoxyacetate
SMILESCCOCC(=O)OCC(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2NO4/c1-2-19-8-13(18)20-7-12(17)16-6-9-3-4-10(14)5-11(9)15/h3-5H,2,6-8H2,1H3,(H,16,17)
InChIKeyWZEXUHYPWJMANY-UHFFFAOYSA-N
MW320.17 g/mol
LogP2.19
Rot. Bonds7

About [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-ethoxyacetate

[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-ethoxyacetate (PubChem CID 2563937) has the molecular formula C13H15Cl2NO4 and a molecular weight of 320.17 g/mol. Its IUPAC name is [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-ethoxyacetate.

Molecular Properties

Compound Name[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-ethoxyacetate
PubChem CID2563937
Molecular FormulaC13H15Cl2NO4
Molecular Weight320.17 g/mol
Exact Mass319.04
IUPAC Name[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-ethoxyacetate
SMILESCCOCC(=O)OCC(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2NO4/c1-2-19-8-13(18)20-7-12(17)16-6-9-3-4-10(14)5-11(9)15/h3-5H,2,6-8H2,1H3,(H,16,17)
InChIKeyWZEXUHYPWJMANY-UHFFFAOYSA-N
XLogP2.19
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.17
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-ethoxyacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-ethoxyacetate?
The IUPAC name of [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-ethoxyacetate (CID 2563937) is [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-ethoxyacetate.
What is the SMILES notation for [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-ethoxyacetate?
The canonical SMILES for [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-ethoxyacetate is CCOCC(=O)OCC(=O)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-ethoxyacetate?
The InChIKey is WZEXUHYPWJMANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO4/c1-2-19-8-13(18)20-7-12(17)16-6-9-3-4-10(14)5-11(9)15/h3-5H,2,6-8H2,1H3,(H,16,17).
What are the key properties of [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-ethoxyacetate?
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-ethoxyacetate has a molecular weight of 320.17 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-ethoxyacetate is sourced from PubChem (CID 2563937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).