ethyl 2-[2,4-dichloro-5-[(2-ethoxy-2-oxoacetyl)amino]anilino]-2-oxoacetate

C14H14Cl2N2O6 — CID 12897311

IUPACethyl 2-[2,4-dichloro-5-[(2-ethoxy-2-oxoacetyl)amino]anilino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1cc(NC(=O)C(=O)OCC)c(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2N2O6/c1-3-23-13(21)11(19)17-9-6-10(8(16)5-7(9)15)18-12(20)14(22)24-4-2/h5-6H,3-4H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyJFFLSKQEUQKRIR-UHFFFAOYSA-N
MW377.18 g/mol
LogP2.00
Rot. Bonds4

About ethyl 2-[2,4-dichloro-5-[(2-ethoxy-2-oxoacetyl)amino]anilino]-2-oxoacetate

ethyl 2-[2,4-dichloro-5-[(2-ethoxy-2-oxoacetyl)amino]anilino]-2-oxoacetate (PubChem CID 12897311) has the molecular formula C14H14Cl2N2O6 and a molecular weight of 377.18 g/mol. Its IUPAC name is ethyl 2-[2,4-dichloro-5-[(2-ethoxy-2-oxoacetyl)amino]anilino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[2,4-dichloro-5-[(2-ethoxy-2-oxoacetyl)amino]anilino]-2-oxoacetate
PubChem CID12897311
Molecular FormulaC14H14Cl2N2O6
Molecular Weight377.18 g/mol
Exact Mass376.02
IUPAC Nameethyl 2-[2,4-dichloro-5-[(2-ethoxy-2-oxoacetyl)amino]anilino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1cc(NC(=O)C(=O)OCC)c(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2N2O6/c1-3-23-13(21)11(19)17-9-6-10(8(16)5-7(9)15)18-12(20)14(22)24-4-2/h5-6H,3-4H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyJFFLSKQEUQKRIR-UHFFFAOYSA-N
XLogP2.00
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.18
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(2-chloro-4-iodoanilino)-2-oxoacetate
CID 107605946
ethyl 2-[2-chloro-3-[(2-ethoxy-2-oxoacetyl)amino]-5-methylanilino]-2-oxoacetate
CID 12897321
ethyl 2-(4-chloro-2,5-dimethoxyanilino)-2-oxoacetate
CID 3311966
ethyl 2-(4-bromo-2,6-dichloroanilino)-2-oxoacetate
CID 60893377
ethyl 2-(2,6-dichloro-4-fluoroanilino)-2-oxoacetate
CID 83078471
ethyl 2-(3-chloro-4-methylanilino)-2-oxoacetate
CID 3368368
ethyl 2-(4-chloro-3-methylanilino)-2-oxoacetate
CID 121223568
ethyl 2-[2-chloro-3-[(2-ethoxy-2-oxoacetyl)amino]-5-phenylanilino]-2-oxoacetate
CID 21416812
ethyl 2-(5-chloro-2-sulfamoylanilino)-2-oxoacetate
CID 54221465
ethyl 2-(2,5-dihydroxyanilino)-2-oxoacetate
CID 12803557
ethyl 2-(2-chloro-4,6-difluoroanilino)-2-oxoacetate
CID 83087259
3,4-bis[(2-ethoxy-2-oxoacetyl)amino]benzoic acid
CID 23451570

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2,4-dichloro-5-[(2-ethoxy-2-oxoacetyl)amino]anilino]-2-oxoacetate?
The IUPAC name of ethyl 2-[2,4-dichloro-5-[(2-ethoxy-2-oxoacetyl)amino]anilino]-2-oxoacetate (CID 12897311) is ethyl 2-[2,4-dichloro-5-[(2-ethoxy-2-oxoacetyl)amino]anilino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[2,4-dichloro-5-[(2-ethoxy-2-oxoacetyl)amino]anilino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[2,4-dichloro-5-[(2-ethoxy-2-oxoacetyl)amino]anilino]-2-oxoacetate is CCOC(=O)C(=O)Nc1cc(NC(=O)C(=O)OCC)c(Cl)cc1Cl.
What is the InChIKey of ethyl 2-[2,4-dichloro-5-[(2-ethoxy-2-oxoacetyl)amino]anilino]-2-oxoacetate?
The InChIKey is JFFLSKQEUQKRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O6/c1-3-23-13(21)11(19)17-9-6-10(8(16)5-7(9)15)18-12(20)14(22)24-4-2/h5-6H,3-4H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of ethyl 2-[2,4-dichloro-5-[(2-ethoxy-2-oxoacetyl)amino]anilino]-2-oxoacetate?
ethyl 2-[2,4-dichloro-5-[(2-ethoxy-2-oxoacetyl)amino]anilino]-2-oxoacetate has a molecular weight of 377.18 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2,4-dichloro-5-[(2-ethoxy-2-oxoacetyl)amino]anilino]-2-oxoacetate is sourced from PubChem (CID 12897311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).