ethyl 2-[2-chloro-3-[(2-ethoxy-2-oxoacetyl)amino]-5-methylanilino]-2-oxoacetate

C15H17ClN2O6 — CID 12897321

IUPACethyl 2-[2-chloro-3-[(2-ethoxy-2-oxoacetyl)amino]-5-methylanilino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1cc(C)cc(NC(=O)C(=O)OCC)c1Cl
InChIInChI=1S/C15H17ClN2O6/c1-4-23-14(21)12(19)17-9-6-8(3)7-10(11(9)16)18-13(20)15(22)24-5-2/h6-7H,4-5H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyLOGSNVWFVIKHQZ-UHFFFAOYSA-N
MW356.76 g/mol
LogP1.65
Rot. Bonds4

About ethyl 2-[2-chloro-3-[(2-ethoxy-2-oxoacetyl)amino]-5-methylanilino]-2-oxoacetate

ethyl 2-[2-chloro-3-[(2-ethoxy-2-oxoacetyl)amino]-5-methylanilino]-2-oxoacetate (PubChem CID 12897321) has the molecular formula C15H17ClN2O6 and a molecular weight of 356.76 g/mol. Its IUPAC name is ethyl 2-[2-chloro-3-[(2-ethoxy-2-oxoacetyl)amino]-5-methylanilino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[2-chloro-3-[(2-ethoxy-2-oxoacetyl)amino]-5-methylanilino]-2-oxoacetate
PubChem CID12897321
Molecular FormulaC15H17ClN2O6
Molecular Weight356.76 g/mol
Exact Mass356.08
IUPAC Nameethyl 2-[2-chloro-3-[(2-ethoxy-2-oxoacetyl)amino]-5-methylanilino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1cc(C)cc(NC(=O)C(=O)OCC)c1Cl
InChIInChI=1S/C15H17ClN2O6/c1-4-23-14(21)12(19)17-9-6-8(3)7-10(11(9)16)18-13(20)15(22)24-5-2/h6-7H,4-5H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyLOGSNVWFVIKHQZ-UHFFFAOYSA-N
XLogP1.65
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.76
LogP ≤ 51.65
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-3-[(2-ethoxy-2-oxoacetyl)amino]-5-phenylanilino]-2-oxoacetate
CID 21416812
ethyl 2-[2,4-dichloro-5-[(2-ethoxy-2-oxoacetyl)amino]anilino]-2-oxoacetate
CID 12897311
ethyl 2-(4-chloro-2,5-dimethoxyanilino)-2-oxoacetate
CID 3311966
ethyl 2-(2-chloro-4-iodoanilino)-2-oxoacetate
CID 107605946
ethyl 2-(5-chloro-2-sulfamoylanilino)-2-oxoacetate
CID 54221465
ethyl 2-(4-bromo-2,6-dichloroanilino)-2-oxoacetate
CID 60893377
ethyl 2-(2,6-dichloro-4-fluoroanilino)-2-oxoacetate
CID 83078471
ethyl 2-(2,5-dihydroxyanilino)-2-oxoacetate
CID 12803557
2-[(2-ethoxy-2-oxoacetyl)amino]-5-ethylbenzoic acid
CID 110465813
3,4-bis[(2-ethoxy-2-oxoacetyl)amino]benzoic acid
CID 23451570
ethyl 2-(3-chloro-4-methylanilino)-2-oxoacetate
CID 3368368
ethyl 2-(4-fluoro-2-methylanilino)-2-oxoacetate
CID 60893380

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-chloro-3-[(2-ethoxy-2-oxoacetyl)amino]-5-methylanilino]-2-oxoacetate?
The IUPAC name of ethyl 2-[2-chloro-3-[(2-ethoxy-2-oxoacetyl)amino]-5-methylanilino]-2-oxoacetate (CID 12897321) is ethyl 2-[2-chloro-3-[(2-ethoxy-2-oxoacetyl)amino]-5-methylanilino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[2-chloro-3-[(2-ethoxy-2-oxoacetyl)amino]-5-methylanilino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[2-chloro-3-[(2-ethoxy-2-oxoacetyl)amino]-5-methylanilino]-2-oxoacetate is CCOC(=O)C(=O)Nc1cc(C)cc(NC(=O)C(=O)OCC)c1Cl.
What is the InChIKey of ethyl 2-[2-chloro-3-[(2-ethoxy-2-oxoacetyl)amino]-5-methylanilino]-2-oxoacetate?
The InChIKey is LOGSNVWFVIKHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O6/c1-4-23-14(21)12(19)17-9-6-8(3)7-10(11(9)16)18-13(20)15(22)24-5-2/h6-7H,4-5H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of ethyl 2-[2-chloro-3-[(2-ethoxy-2-oxoacetyl)amino]-5-methylanilino]-2-oxoacetate?
ethyl 2-[2-chloro-3-[(2-ethoxy-2-oxoacetyl)amino]-5-methylanilino]-2-oxoacetate has a molecular weight of 356.76 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-chloro-3-[(2-ethoxy-2-oxoacetyl)amino]-5-methylanilino]-2-oxoacetate is sourced from PubChem (CID 12897321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).