ethyl 2-(2-chloro-4-iodoanilino)-2-oxoacetate

C10H9ClINO3 — CID 107605946

IUPACethyl 2-(2-chloro-4-iodoanilino)-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1ccc(I)cc1Cl
InChIInChI=1S/C10H9ClINO3/c1-2-16-10(15)9(14)13-8-4-3-6(12)5-7(8)11/h3-5H,2H2,1H3,(H,13,14)
InChIKeyTZNLZNCGBIOALU-UHFFFAOYSA-N
MW353.54 g/mol
LogP2.45
Rot. Bonds2

About ethyl 2-(2-chloro-4-iodoanilino)-2-oxoacetate

ethyl 2-(2-chloro-4-iodoanilino)-2-oxoacetate (PubChem CID 107605946) has the molecular formula C10H9ClINO3 and a molecular weight of 353.54 g/mol. Its IUPAC name is ethyl 2-(2-chloro-4-iodoanilino)-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-(2-chloro-4-iodoanilino)-2-oxoacetate
PubChem CID107605946
Molecular FormulaC10H9ClINO3
Molecular Weight353.54 g/mol
Exact Mass352.93
IUPAC Nameethyl 2-(2-chloro-4-iodoanilino)-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1ccc(I)cc1Cl
InChIInChI=1S/C10H9ClINO3/c1-2-16-10(15)9(14)13-8-4-3-6(12)5-7(8)11/h3-5H,2H2,1H3,(H,13,14)
InChIKeyTZNLZNCGBIOALU-UHFFFAOYSA-N
XLogP2.45
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.54
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 2-(2-chloro-4-iodoanilino)-2-oxoacetate 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

ethyl 2-[2,4-dichloro-5-[(2-ethoxy-2-oxoacetyl)amino]anilino]-2-oxoacetate
CID 12897311
N-(2-chloro-4-iodophenyl)acetamide
CID 18434368
ethyl 2-[2-chloro-3-[(2-ethoxy-2-oxoacetyl)amino]-5-methylanilino]-2-oxoacetate
CID 12897321
2-amino-N-(2-chloro-4-iodophenyl)-2-methylbutanamide
CID 79796935
2-chloro-N-(2-chloro-4-iodophenyl)acetamide
CID 43701527
1-amino-3-(2-chloro-4-iodophenyl)urea
CID 107605938
ethyl 2-(4-chloro-2,5-dimethoxyanilino)-2-oxoacetate
CID 3311966
3,4-bis[(2-ethoxy-2-oxoacetyl)amino]benzoic acid
CID 23451570
ethyl 2-(4-fluoro-2-methylanilino)-2-oxoacetate
CID 60893380
ethyl 2-(3-chloro-4-methylanilino)-2-oxoacetate
CID 3368368
ethyl 2-(4-chloro-3-methylanilino)-2-oxoacetate
CID 121223568
N-(2-chloro-4-iodophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604535

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-chloro-4-iodoanilino)-2-oxoacetate?
The IUPAC name of ethyl 2-(2-chloro-4-iodoanilino)-2-oxoacetate (CID 107605946) is ethyl 2-(2-chloro-4-iodoanilino)-2-oxoacetate.
What is the SMILES notation for ethyl 2-(2-chloro-4-iodoanilino)-2-oxoacetate?
The canonical SMILES for ethyl 2-(2-chloro-4-iodoanilino)-2-oxoacetate is CCOC(=O)C(=O)Nc1ccc(I)cc1Cl.
What is the InChIKey of ethyl 2-(2-chloro-4-iodoanilino)-2-oxoacetate?
The InChIKey is TZNLZNCGBIOALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClINO3/c1-2-16-10(15)9(14)13-8-4-3-6(12)5-7(8)11/h3-5H,2H2,1H3,(H,13,14).
What are the key properties of ethyl 2-(2-chloro-4-iodoanilino)-2-oxoacetate?
ethyl 2-(2-chloro-4-iodoanilino)-2-oxoacetate has a molecular weight of 353.54 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-chloro-4-iodoanilino)-2-oxoacetate is sourced from PubChem (CID 107605946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).