[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2,6-dichlorobenzoate

C20H20Cl2N2O4 — CID 2489126

IUPAC[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2,6-dichlorobenzoate
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)COC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C20H20Cl2N2O4/c1-3-13-7-4-5-10-16(13)23-17(25)11-24(2)18(26)12-28-20(27)19-14(21)8-6-9-15(19)22/h4-10H,3,11-12H2,1-2H3,(H,23,25)
InChIKeyZPMZLCGCYDEMNS-UHFFFAOYSA-N
MW423.30 g/mol
LogP3.81
Rot. Bonds7

About [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2,6-dichlorobenzoate

[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2,6-dichlorobenzoate (PubChem CID 2489126) has the molecular formula C20H20Cl2N2O4 and a molecular weight of 423.30 g/mol. Its IUPAC name is [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2,6-dichlorobenzoate.

Molecular Properties

Compound Name[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2,6-dichlorobenzoate
PubChem CID2489126
Molecular FormulaC20H20Cl2N2O4
Molecular Weight423.30 g/mol
Exact Mass422.08
IUPAC Name[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2,6-dichlorobenzoate
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)COC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C20H20Cl2N2O4/c1-3-13-7-4-5-10-16(13)23-17(25)11-24(2)18(26)12-28-20(27)19-14(21)8-6-9-15(19)22/h4-10H,3,11-12H2,1-2H3,(H,23,25)
InChIKeyZPMZLCGCYDEMNS-UHFFFAOYSA-N
XLogP3.81
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.30
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2,6-dichlorobenzoate?
The IUPAC name of [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2,6-dichlorobenzoate (CID 2489126) is [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2,6-dichlorobenzoate.
What is the SMILES notation for [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2,6-dichlorobenzoate?
The canonical SMILES for [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2,6-dichlorobenzoate is CCc1ccccc1NC(=O)CN(C)C(=O)COC(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2,6-dichlorobenzoate?
The InChIKey is ZPMZLCGCYDEMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O4/c1-3-13-7-4-5-10-16(13)23-17(25)11-24(2)18(26)12-28-20(27)19-14(21)8-6-9-15(19)22/h4-10H,3,11-12H2,1-2H3,(H,23,25).
What are the key properties of [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2,6-dichlorobenzoate?
[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2,6-dichlorobenzoate has a molecular weight of 423.30 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2,6-dichlorobenzoate is sourced from PubChem (CID 2489126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).