[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenyl)acetate

C18H17Cl2NO3 — CID 9229357

IUPAC[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(Cl)cc1)NCCc1cccc(Cl)c1
InChIInChI=1S/C18H17Cl2NO3/c19-15-6-4-14(5-7-15)11-18(23)24-12-17(22)21-9-8-13-2-1-3-16(20)10-13/h1-7,10H,8-9,11-12H2,(H,21,22)
InChIKeyIPALCWNUEKDTGG-UHFFFAOYSA-N
MW366.24 g/mol
LogP3.44
Rot. Bonds7

About [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenyl)acetate

[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenyl)acetate (PubChem CID 9229357) has the molecular formula C18H17Cl2NO3 and a molecular weight of 366.24 g/mol. Its IUPAC name is [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenyl)acetate.

Molecular Properties

Compound Name[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
PubChem CID9229357
Molecular FormulaC18H17Cl2NO3
Molecular Weight366.24 g/mol
Exact Mass365.06
IUPAC Name[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(Cl)cc1)NCCc1cccc(Cl)c1
InChIInChI=1S/C18H17Cl2NO3/c19-15-6-4-14(5-7-15)11-18(23)24-12-17(22)21-9-8-13-2-1-3-16(20)10-13/h1-7,10H,8-9,11-12H2,(H,21,22)
InChIKeyIPALCWNUEKDTGG-UHFFFAOYSA-N
XLogP3.44
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 9229427
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667611
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 2569917
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 9017658
2-(4-chlorophenoxy)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 1370971
[2-(benzylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2080167
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8671570
N-[2-(3-chlorophenyl)ethyl]-2-[2-(4-chlorophenyl)ethylamino]acetamide
CID 109002830
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
2-[2-(aminomethyl)phenyl]-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 81313061
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 7762959
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate
CID 8806352

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The IUPAC name of [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenyl)acetate (CID 9229357) is [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenyl)acetate.
What is the SMILES notation for [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The canonical SMILES for [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenyl)acetate is O=C(COC(=O)Cc1ccc(Cl)cc1)NCCc1cccc(Cl)c1.
What is the InChIKey of [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The InChIKey is IPALCWNUEKDTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO3/c19-15-6-4-14(5-7-15)11-18(23)24-12-17(22)21-9-8-13-2-1-3-16(20)10-13/h1-7,10H,8-9,11-12H2,(H,21,22).
What are the key properties of [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenyl)acetate?
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenyl)acetate has a molecular weight of 366.24 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenyl)acetate is sourced from PubChem (CID 9229357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).