[2-(3-chloroanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate

C18H18ClNO5 — CID 7274004

IUPAC[2-(3-chloroanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
SMILESCCOc1ccc(OCC(=O)OCC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H18ClNO5/c1-2-23-15-6-8-16(9-7-15)24-12-18(22)25-11-17(21)20-14-5-3-4-13(19)10-14/h3-10H,2,11-12H2,1H3,(H,20,21)
InChIKeyJZGHPJOWMCOCAQ-UHFFFAOYSA-N
MW363.80 g/mol
LogP3.30
Rot. Bonds8

About [2-(3-chloroanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate

[2-(3-chloroanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate (PubChem CID 7274004) has the molecular formula C18H18ClNO5 and a molecular weight of 363.80 g/mol. Its IUPAC name is [2-(3-chloroanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate.

Molecular Properties

Compound Name[2-(3-chloroanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
PubChem CID7274004
Molecular FormulaC18H18ClNO5
Molecular Weight363.80 g/mol
Exact Mass363.09
IUPAC Name[2-(3-chloroanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
SMILESCCOc1ccc(OCC(=O)OCC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H18ClNO5/c1-2-23-15-6-8-16(9-7-15)24-12-18(22)25-11-17(21)20-14-5-3-4-13(19)10-14/h3-10H,2,11-12H2,1H3,(H,20,21)
InChIKeyJZGHPJOWMCOCAQ-UHFFFAOYSA-N
XLogP3.30
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-methylanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7606225
[2-(3-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803920
[2-(3-chloroanilino)-2-oxoethyl] 2-(4-nitrophenoxy)acetate
CID 7770548
[2-(3-cyanoanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7273984
[2-(3-chloroanilino)-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate
CID 8528048
[2-(3-methylsulfonylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 8982597
[2-(3-chloroanilino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 4803026
2-(4-acetylphenoxy)-N-(3-chlorophenyl)acetamide
CID 2709970
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2590569
propyl 4-[[2-[2-(3-chlorophenoxy)acetyl]oxyacetyl]amino]benzoate
CID 7803729
[2-(4-ethoxy-2-nitroanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 41073202
[2-(3,5-dichloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 7855157

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloroanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate?
The IUPAC name of [2-(3-chloroanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate (CID 7274004) is [2-(3-chloroanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate.
What is the SMILES notation for [2-(3-chloroanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate?
The canonical SMILES for [2-(3-chloroanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate is CCOc1ccc(OCC(=O)OCC(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of [2-(3-chloroanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate?
The InChIKey is JZGHPJOWMCOCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO5/c1-2-23-15-6-8-16(9-7-15)24-12-18(22)25-11-17(21)20-14-5-3-4-13(19)10-14/h3-10H,2,11-12H2,1H3,(H,20,21).
What are the key properties of [2-(3-chloroanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate?
[2-(3-chloroanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate has a molecular weight of 363.80 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloroanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate is sourced from PubChem (CID 7274004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).