[2-(4-iodoanilino)-2-oxoethyl] 2-methoxyacetate

C11H12INO4 — CID 8018922

IUPAC[2-(4-iodoanilino)-2-oxoethyl] 2-methoxyacetate
SMILESCOCC(=O)OCC(=O)Nc1ccc(I)cc1
InChIInChI=1S/C11H12INO4/c1-16-7-11(15)17-6-10(14)13-9-4-2-8(12)3-5-9/h2-5H,6-7H2,1H3,(H,13,14)
InChIKeyQVMHQIXNVFEUHX-UHFFFAOYSA-N
MW349.12 g/mol
LogP1.42
Rot. Bonds5

About [2-(4-iodoanilino)-2-oxoethyl] 2-methoxyacetate

[2-(4-iodoanilino)-2-oxoethyl] 2-methoxyacetate (PubChem CID 8018922) has the molecular formula C11H12INO4 and a molecular weight of 349.12 g/mol. Its IUPAC name is [2-(4-iodoanilino)-2-oxoethyl] 2-methoxyacetate.

Molecular Properties

Compound Name[2-(4-iodoanilino)-2-oxoethyl] 2-methoxyacetate
PubChem CID8018922
Molecular FormulaC11H12INO4
Molecular Weight349.12 g/mol
Exact Mass348.98
IUPAC Name[2-(4-iodoanilino)-2-oxoethyl] 2-methoxyacetate
SMILESCOCC(=O)OCC(=O)Nc1ccc(I)cc1
InChIInChI=1S/C11H12INO4/c1-16-7-11(15)17-6-10(14)13-9-4-2-8(12)3-5-9/h2-5H,6-7H2,1H3,(H,13,14)
InChIKeyQVMHQIXNVFEUHX-UHFFFAOYSA-N
XLogP1.42
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.12
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-iodoanilino)-2-oxoethyl] 4-oxopentanoate
CID 8626099
[2-(4-methylanilino)-2-oxoethyl] 2-(4-iodophenoxy)acetate
CID 55327028
methyl 4-[[2-[2-(4-iodophenoxy)acetyl]oxyacetyl]amino]benzoate
CID 71822939
[2-[4-(3,4-dimethylphenyl)sulfanylanilino]-2-oxoethyl] 2-methoxyacetate
CID 8018940
[2-(4-acetamidoanilino)-2-oxoethyl] 4-iodobenzoate
CID 2505523
N-(4-hydrazinylphenyl)-2-methoxyacetamide
CID 141361616
2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 43708154
[2-(4-iodoanilino)-2-oxoethyl] cyclobutanecarboxylate
CID 7717400
[2-(4-iodoanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
CID 16535303
[2-(4-iodoanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 23855950
[2-(4-iodoanilino)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 2477229
[2-[4-(2,5-dimethylphenyl)sulfanylanilino]-2-oxoethyl] 2-methoxyacetate
CID 7776150

Frequently Asked Questions

What is the IUPAC name of [2-(4-iodoanilino)-2-oxoethyl] 2-methoxyacetate?
The IUPAC name of [2-(4-iodoanilino)-2-oxoethyl] 2-methoxyacetate (CID 8018922) is [2-(4-iodoanilino)-2-oxoethyl] 2-methoxyacetate.
What is the SMILES notation for [2-(4-iodoanilino)-2-oxoethyl] 2-methoxyacetate?
The canonical SMILES for [2-(4-iodoanilino)-2-oxoethyl] 2-methoxyacetate is COCC(=O)OCC(=O)Nc1ccc(I)cc1.
What is the InChIKey of [2-(4-iodoanilino)-2-oxoethyl] 2-methoxyacetate?
The InChIKey is QVMHQIXNVFEUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12INO4/c1-16-7-11(15)17-6-10(14)13-9-4-2-8(12)3-5-9/h2-5H,6-7H2,1H3,(H,13,14).
What are the key properties of [2-(4-iodoanilino)-2-oxoethyl] 2-methoxyacetate?
[2-(4-iodoanilino)-2-oxoethyl] 2-methoxyacetate has a molecular weight of 349.12 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-iodoanilino)-2-oxoethyl] 2-methoxyacetate is sourced from PubChem (CID 8018922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).