[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate

C18H17Cl2NO6 — CID 42003289

IUPAC[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
SMILESCOc1cc(OC)c(NC(=O)COC(=O)COc2ccccc2Cl)cc1Cl
InChIInChI=1S/C18H17Cl2NO6/c1-24-15-8-16(25-2)13(7-12(15)20)21-17(22)9-27-18(23)10-26-14-6-4-3-5-11(14)19/h3-8H,9-10H2,1-2H3,(H,21,22)
InChIKeyVECXQGOIIMOBGN-UHFFFAOYSA-N
MW414.24 g/mol
LogP3.57
Rot. Bonds8

About [2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate

[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate (PubChem CID 42003289) has the molecular formula C18H17Cl2NO6 and a molecular weight of 414.24 g/mol. Its IUPAC name is [2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate.

Molecular Properties

Compound Name[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
PubChem CID42003289
Molecular FormulaC18H17Cl2NO6
Molecular Weight414.24 g/mol
Exact Mass413.04
IUPAC Name[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
SMILESCOc1cc(OC)c(NC(=O)COC(=O)COc2ccccc2Cl)cc1Cl
InChIInChI=1S/C18H17Cl2NO6/c1-24-15-8-16(25-2)13(7-12(15)20)21-17(22)9-27-18(23)10-26-14-6-4-3-5-11(14)19/h3-8H,9-10H2,1-2H3,(H,21,22)
InChIKeyVECXQGOIIMOBGN-UHFFFAOYSA-N
XLogP3.57
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.24
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854133
[2-(2-methoxyanilino)-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate
CID 7234832
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 2378568
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854137
N-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenoxy)acetamide
CID 870474
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 7856028
N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 7751407
N-(5-chloro-2,4-dimethoxyphenyl)-2-methoxyacetamide
CID 836298
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 2-(2-chlorophenoxy)acetate
CID 41465862
2-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 41428663
3-O-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,3-dicarboxylate
CID 46860657
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2,3-dimethoxyphenoxy)acetamide
CID 112978511

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate?
The IUPAC name of [2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate (CID 42003289) is [2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate.
What is the SMILES notation for [2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate?
The canonical SMILES for [2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate is COc1cc(OC)c(NC(=O)COC(=O)COc2ccccc2Cl)cc1Cl.
What is the InChIKey of [2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate?
The InChIKey is VECXQGOIIMOBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO6/c1-24-15-8-16(25-2)13(7-12(15)20)21-17(22)9-27-18(23)10-26-14-6-4-3-5-11(14)19/h3-8H,9-10H2,1-2H3,(H,21,22).
What are the key properties of [2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate?
[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate has a molecular weight of 414.24 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate is sourced from PubChem (CID 42003289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).