[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate

C19H19Cl2NO5 — CID 7766617

IUPAC[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)Nc2c(Cl)ccc(C)c2Cl)cc1OC
InChIInChI=1S/C19H19Cl2NO5/c1-11-4-6-13(20)19(18(11)21)22-16(23)10-27-17(24)9-12-5-7-14(25-2)15(8-12)26-3/h4-8H,9-10H2,1-3H3,(H,22,23)
InChIKeyWSHCJXRSXRUMHY-UHFFFAOYSA-N
MW412.27 g/mol
LogP4.04
Rot. Bonds7

About [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate

[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate (PubChem CID 7766617) has the molecular formula C19H19Cl2NO5 and a molecular weight of 412.27 g/mol. Its IUPAC name is [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate.

Molecular Properties

Compound Name[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
PubChem CID7766617
Molecular FormulaC19H19Cl2NO5
Molecular Weight412.27 g/mol
Exact Mass411.06
IUPAC Name[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)Nc2c(Cl)ccc(C)c2Cl)cc1OC
InChIInChI=1S/C19H19Cl2NO5/c1-11-4-6-13(20)19(18(11)21)22-16(23)10-27-17(24)9-12-5-7-14(25-2)15(8-12)26-3/h4-8H,9-10H2,1-3H3,(H,22,23)
InChIKeyWSHCJXRSXRUMHY-UHFFFAOYSA-N
XLogP4.04
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.27
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2349915
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-(3,4-dichlorophenyl)acetate
CID 7725051
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 7766111
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 7766635
[2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 42014793
[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 3,5-dimethoxybenzoate
CID 2518276
[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 3282843
[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2,3-dimethoxybenzoate
CID 2503695
N-(2,6-dichloro-3-methylphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 16620409
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 8792855
methyl 2-[[2-[2-(3,4-dimethoxyphenyl)acetyl]oxyacetyl]amino]benzoate
CID 7766660
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 71823029

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate?
The IUPAC name of [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate (CID 7766617) is [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate.
What is the SMILES notation for [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate?
The canonical SMILES for [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate is COc1ccc(CC(=O)OCC(=O)Nc2c(Cl)ccc(C)c2Cl)cc1OC.
What is the InChIKey of [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate?
The InChIKey is WSHCJXRSXRUMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO5/c1-11-4-6-13(20)19(18(11)21)22-16(23)10-27-17(24)9-12-5-7-14(25-2)15(8-12)26-3/h4-8H,9-10H2,1-3H3,(H,22,23).
What are the key properties of [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate?
[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate has a molecular weight of 412.27 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate is sourced from PubChem (CID 7766617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).