[2-(3,5-dichloroanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate

C20H21Cl2NO5 — CID 71822991

IUPAC[2-(3,5-dichloroanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
SMILESCCOc1ccc(CC(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1OCC
InChIInChI=1S/C20H21Cl2NO5/c1-3-26-17-6-5-13(7-18(17)27-4-2)8-20(25)28-12-19(24)23-16-10-14(21)9-15(22)11-16/h5-7,9-11H,3-4,8,12H2,1-2H3,(H,23,24)
InChIKeyGPEDLXSNCYUPLU-UHFFFAOYSA-N
MW426.30 g/mol
LogP4.52
Rot. Bonds9

About [2-(3,5-dichloroanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate

[2-(3,5-dichloroanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate (PubChem CID 71822991) has the molecular formula C20H21Cl2NO5 and a molecular weight of 426.30 g/mol. Its IUPAC name is [2-(3,5-dichloroanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate.

Molecular Properties

Compound Name[2-(3,5-dichloroanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
PubChem CID71822991
Molecular FormulaC20H21Cl2NO5
Molecular Weight426.30 g/mol
Exact Mass425.08
IUPAC Name[2-(3,5-dichloroanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
SMILESCCOc1ccc(CC(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1OCC
InChIInChI=1S/C20H21Cl2NO5/c1-3-26-17-6-5-13(7-18(17)27-4-2)8-20(25)28-12-19(24)23-16-10-14(21)9-15(22)11-16/h5-7,9-11H,3-4,8,12H2,1-2H3,(H,23,24)
InChIKeyGPEDLXSNCYUPLU-UHFFFAOYSA-N
XLogP4.52
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.30
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(3,5-dichloroanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 71823029
[2-(3-ethylanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 71823037
[2-(4-butylanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 71823001
[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 993572
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
CID 8672049
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 71823024
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 7705523
[2-(2-methylanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 71823053
[2-(2-methoxyanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 71823067
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 71823043
ethyl 2-[[2-[2-(3,4-diethoxyphenyl)acetyl]oxyacetyl]amino]benzoate
CID 71823049
N-(3,5-dichlorophenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 3482890

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dichloroanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate?
The IUPAC name of [2-(3,5-dichloroanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate (CID 71822991) is [2-(3,5-dichloroanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate.
What is the SMILES notation for [2-(3,5-dichloroanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate?
The canonical SMILES for [2-(3,5-dichloroanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate is CCOc1ccc(CC(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1OCC.
What is the InChIKey of [2-(3,5-dichloroanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate?
The InChIKey is GPEDLXSNCYUPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2NO5/c1-3-26-17-6-5-13(7-18(17)27-4-2)8-20(25)28-12-19(24)23-16-10-14(21)9-15(22)11-16/h5-7,9-11H,3-4,8,12H2,1-2H3,(H,23,24).
What are the key properties of [2-(3,5-dichloroanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate?
[2-(3,5-dichloroanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate has a molecular weight of 426.30 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dichloroanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate is sourced from PubChem (CID 71822991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).