[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate

C19H19Cl2NO4 — CID 2514768

IUPAC[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
SMILESCOc1ccc(CCNC(=O)COC(=O)Cc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C19H19Cl2NO4/c1-25-15-5-2-13(3-6-15)8-9-22-18(23)12-26-19(24)11-14-4-7-16(20)17(21)10-14/h2-7,10H,8-9,11-12H2,1H3,(H,22,23)
InChIKeyCKCDQVINEJRCSE-UHFFFAOYSA-N
MW396.27 g/mol
LogP3.45
Rot. Bonds8

About [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate

[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate (PubChem CID 2514768) has the molecular formula C19H19Cl2NO4 and a molecular weight of 396.27 g/mol. Its IUPAC name is [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate.

Molecular Properties

Compound Name[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
PubChem CID2514768
Molecular FormulaC19H19Cl2NO4
Molecular Weight396.27 g/mol
Exact Mass395.07
IUPAC Name[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
SMILESCOc1ccc(CCNC(=O)COC(=O)Cc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C19H19Cl2NO4/c1-25-15-5-2-13(3-6-15)8-9-22-18(23)12-26-19(24)11-14-4-7-16(20)17(21)10-14/h2-7,10H,8-9,11-12H2,1H3,(H,22,23)
InChIKeyCKCDQVINEJRCSE-UHFFFAOYSA-N
XLogP3.45
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.27
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 2514803
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 8536176
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608709
[2-(ethylamino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 2514718
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2556389
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-thiophen-3-ylacetate
CID 9323185
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2,6-dichloropyridine-4-carboxylate
CID 2358005
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 40692952
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] cyclopropanecarboxylate
CID 2376869
1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)propan-2-one
CID 39445145
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8671570
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 7846555

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate?
The IUPAC name of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate (CID 2514768) is [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate.
What is the SMILES notation for [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate?
The canonical SMILES for [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate is COc1ccc(CCNC(=O)COC(=O)Cc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate?
The InChIKey is CKCDQVINEJRCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO4/c1-25-15-5-2-13(3-6-15)8-9-22-18(23)12-26-19(24)11-14-4-7-16(20)17(21)10-14/h2-7,10H,8-9,11-12H2,1H3,(H,22,23).
What are the key properties of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate?
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate has a molecular weight of 396.27 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate is sourced from PubChem (CID 2514768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).