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

C18H17Cl2NO4 — CID 9229427

IUPAC[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
SMILESO=C(COC(=O)COc1ccc(Cl)cc1)NCCc1cccc(Cl)c1
InChIInChI=1S/C18H17Cl2NO4/c19-14-4-6-16(7-5-14)24-12-18(23)25-11-17(22)21-9-8-13-2-1-3-15(20)10-13/h1-7,10H,8-9,11-12H2,(H,21,22)
InChIKeyCUXYTTUFCLZRTN-UHFFFAOYSA-N
MW382.24 g/mol
LogP3.27
Rot. Bonds8

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

[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate (PubChem CID 9229427) has the molecular formula C18H17Cl2NO4 and a molecular weight of 382.24 g/mol. Its IUPAC name is [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate.

Molecular Properties

Compound Name[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
PubChem CID9229427
Molecular FormulaC18H17Cl2NO4
Molecular Weight382.24 g/mol
Exact Mass381.05
IUPAC Name[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
SMILESO=C(COC(=O)COc1ccc(Cl)cc1)NCCc1cccc(Cl)c1
InChIInChI=1S/C18H17Cl2NO4/c19-14-4-6-16(7-5-14)24-12-18(23)25-11-17(22)21-9-8-13-2-1-3-15(20)10-13/h1-7,10H,8-9,11-12H2,(H,21,22)
InChIKeyCUXYTTUFCLZRTN-UHFFFAOYSA-N
XLogP3.27
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.24
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 1370971
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate
CID 8806352
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 9229357
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 8910326
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-ethoxyphenyl)sulfanylacetate
CID 8564969
[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 9229445
[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 9491672
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
N-[2-(3-chlorophenyl)ethyl]-3-phenoxypropanamide
CID 113098409
methyl 2-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]acetate
CID 3935127
[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 8642931
N-[2-(3-chlorophenyl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 8882460

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate?
The IUPAC name of [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate (CID 9229427) is [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate.
What is the SMILES notation for [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate?
The canonical SMILES for [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate is O=C(COC(=O)COc1ccc(Cl)cc1)NCCc1cccc(Cl)c1.
What is the InChIKey of [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate?
The InChIKey is CUXYTTUFCLZRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO4/c19-14-4-6-16(7-5-14)24-12-18(23)25-11-17(22)21-9-8-13-2-1-3-15(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-chlorophenoxy)acetate?
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate has a molecular weight of 382.24 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate is sourced from PubChem (CID 9229427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).