N-(3-acetamido-5-formyl-2,4,6-triiodophenyl)acetamide

C11H9I3N2O3 — CID 57243531

IUPACN-(3-acetamido-5-formyl-2,4,6-triiodophenyl)acetamide
SMILESCC(=O)Nc1c(I)c(C=O)c(I)c(NC(C)=O)c1I
InChIInChI=1S/C11H9I3N2O3/c1-4(18)15-10-7(12)6(3-17)8(13)11(9(10)14)16-5(2)19/h3H,1-2H3,(H,15,18)(H,16,19)
InChIKeyGOLIHCBYHUXSBD-UHFFFAOYSA-N
MW597.92 g/mol
LogP3.23
Rot. Bonds3

About N-(3-acetamido-5-formyl-2,4,6-triiodophenyl)acetamide

N-(3-acetamido-5-formyl-2,4,6-triiodophenyl)acetamide (PubChem CID 57243531) has the molecular formula C11H9I3N2O3 and a molecular weight of 597.92 g/mol. Its IUPAC name is N-(3-acetamido-5-formyl-2,4,6-triiodophenyl)acetamide.

Molecular Properties

Compound NameN-(3-acetamido-5-formyl-2,4,6-triiodophenyl)acetamide
PubChem CID57243531
Molecular FormulaC11H9I3N2O3
Molecular Weight597.92 g/mol
Exact Mass597.77
IUPAC NameN-(3-acetamido-5-formyl-2,4,6-triiodophenyl)acetamide
SMILESCC(=O)Nc1c(I)c(C=O)c(I)c(NC(C)=O)c1I
InChIInChI=1S/C11H9I3N2O3/c1-4(18)15-10-7(12)6(3-17)8(13)11(9(10)14)16-5(2)19/h3H,1-2H3,(H,15,18)(H,16,19)
InChIKeyGOLIHCBYHUXSBD-UHFFFAOYSA-N
XLogP3.23
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500597.92
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-5-formyl-2,4,6-triiodophenyl)acetamide?
The IUPAC name of N-(3-acetamido-5-formyl-2,4,6-triiodophenyl)acetamide (CID 57243531) is N-(3-acetamido-5-formyl-2,4,6-triiodophenyl)acetamide.
What is the SMILES notation for N-(3-acetamido-5-formyl-2,4,6-triiodophenyl)acetamide?
The canonical SMILES for N-(3-acetamido-5-formyl-2,4,6-triiodophenyl)acetamide is CC(=O)Nc1c(I)c(C=O)c(I)c(NC(C)=O)c1I.
What is the InChIKey of N-(3-acetamido-5-formyl-2,4,6-triiodophenyl)acetamide?
The InChIKey is GOLIHCBYHUXSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9I3N2O3/c1-4(18)15-10-7(12)6(3-17)8(13)11(9(10)14)16-5(2)19/h3H,1-2H3,(H,15,18)(H,16,19).
What are the key properties of N-(3-acetamido-5-formyl-2,4,6-triiodophenyl)acetamide?
N-(3-acetamido-5-formyl-2,4,6-triiodophenyl)acetamide has a molecular weight of 597.92 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-5-formyl-2,4,6-triiodophenyl)acetamide is sourced from PubChem (CID 57243531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).