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

C17H15Cl2NO5 — CID 7854137

IUPAC[2-(2,5-dichloroanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
SMILESCOc1ccccc1OCC(=O)OCC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H15Cl2NO5/c1-23-14-4-2-3-5-15(14)24-10-17(22)25-9-16(21)20-13-8-11(18)6-7-12(13)19/h2-8H,9-10H2,1H3,(H,20,21)
InChIKeyGOCRPQWFANRKPY-UHFFFAOYSA-N
MW384.22 g/mol
LogP3.56
Rot. Bonds7

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

[2-(2,5-dichloroanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate (PubChem CID 7854137) has the molecular formula C17H15Cl2NO5 and a molecular weight of 384.22 g/mol. Its IUPAC name is [2-(2,5-dichloroanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate.

Molecular Properties

Compound Name[2-(2,5-dichloroanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
PubChem CID7854137
Molecular FormulaC17H15Cl2NO5
Molecular Weight384.22 g/mol
Exact Mass383.03
IUPAC Name[2-(2,5-dichloroanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
SMILESCOc1ccccc1OCC(=O)OCC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H15Cl2NO5/c1-23-14-4-2-3-5-15(14)24-10-17(22)25-9-16(21)20-13-8-11(18)6-7-12(13)19/h2-8H,9-10H2,1H3,(H,20,21)
InChIKeyGOCRPQWFANRKPY-UHFFFAOYSA-N
XLogP3.56
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.22
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,5-dichloroanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 7729248
[2-(5-chloro-2-nitroanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854012
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854133
N-(2,4-dichlorophenyl)-2-(2-methoxyphenoxy)acetamide
CID 923080
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 2378568
N-(5-chloro-2-hydroxyphenyl)-2-(2-methoxyphenoxy)acetamide
CID 893841
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 2626869
[2-(2-methoxyanilino)-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate
CID 7234832
[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 42003289
N-(2,5-dichlorophenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 35987064
N-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenoxy)acetamide
CID 870474
2-(2-acetamidophenoxy)-N-(2,5-dichlorophenyl)acetamide
CID 7867306

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dichloroanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate?
The IUPAC name of [2-(2,5-dichloroanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate (CID 7854137) is [2-(2,5-dichloroanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate.
What is the SMILES notation for [2-(2,5-dichloroanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate?
The canonical SMILES for [2-(2,5-dichloroanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate is COc1ccccc1OCC(=O)OCC(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of [2-(2,5-dichloroanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate?
The InChIKey is GOCRPQWFANRKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO5/c1-23-14-4-2-3-5-15(14)24-10-17(22)25-9-16(21)20-13-8-11(18)6-7-12(13)19/h2-8H,9-10H2,1H3,(H,20,21).
What are the key properties of [2-(2,5-dichloroanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate?
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate has a molecular weight of 384.22 g/mol, XLogP of 3.56, 7 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-methoxyphenoxy)acetate is sourced from PubChem (CID 7854137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).