[2-(2,5-dichloroanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate

C18H17Cl2NO5 — CID 7729248

IUPAC[2-(2,5-dichloroanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
SMILESCCOc1ccccc1OCC(=O)OCC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C18H17Cl2NO5/c1-2-24-15-5-3-4-6-16(15)25-11-18(23)26-10-17(22)21-14-9-12(19)7-8-13(14)20/h3-9H,2,10-11H2,1H3,(H,21,22)
InChIKeyKYIRLNMFOVLCNJ-UHFFFAOYSA-N
MW398.24 g/mol
LogP3.95
Rot. Bonds8

About [2-(2,5-dichloroanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate

[2-(2,5-dichloroanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate (PubChem CID 7729248) has the molecular formula C18H17Cl2NO5 and a molecular weight of 398.24 g/mol. Its IUPAC name is [2-(2,5-dichloroanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate.

Molecular Properties

Compound Name[2-(2,5-dichloroanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
PubChem CID7729248
Molecular FormulaC18H17Cl2NO5
Molecular Weight398.24 g/mol
Exact Mass397.05
IUPAC Name[2-(2,5-dichloroanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
SMILESCCOc1ccccc1OCC(=O)OCC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C18H17Cl2NO5/c1-2-24-15-5-3-4-6-16(15)25-11-18(23)26-10-17(22)21-14-9-12(19)7-8-13(14)20/h3-9H,2,10-11H2,1H3,(H,21,22)
InChIKeyKYIRLNMFOVLCNJ-UHFFFAOYSA-N
XLogP3.95
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.24
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,5-dichloroanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854137
[2-(2,5-dichloroanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 8731134
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 9272250
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 9272270
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 2378568
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
CID 7701704
[2-(2-ethoxyanilino)-2-oxoethyl] 3-(2,5-dichlorophenyl)sulfonylpropanoate
CID 17260707
2-(2-acetamidophenoxy)-N-(2,5-dichlorophenyl)acetamide
CID 7867306
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(2,4-dichlorophenoxy)acetate
CID 2378781
[2-(5-chloro-2-nitroanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854012
[2-(2,6-difluoroanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 9272263
2-(2-bromo-4-chlorophenoxy)-N-(2-ethoxyphenyl)acetamide
CID 1367163

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dichloroanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate?
The IUPAC name of [2-(2,5-dichloroanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate (CID 7729248) is [2-(2,5-dichloroanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate.
What is the SMILES notation for [2-(2,5-dichloroanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate?
The canonical SMILES for [2-(2,5-dichloroanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate is CCOc1ccccc1OCC(=O)OCC(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of [2-(2,5-dichloroanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate?
The InChIKey is KYIRLNMFOVLCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO5/c1-2-24-15-5-3-4-6-16(15)25-11-18(23)26-10-17(22)21-14-9-12(19)7-8-13(14)20/h3-9H,2,10-11H2,1H3,(H,21,22).
What are the key properties of [2-(2,5-dichloroanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate?
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate has a molecular weight of 398.24 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dichloroanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate is sourced from PubChem (CID 7729248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).