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

C8H8I3N3O — CID 88683947

IUPACN-(3,5-diamino-2,4,6-triiodophenyl)acetamide
SMILESCC(=O)Nc1c(I)c(N)c(I)c(N)c1I
InChIInChI=1S/C8H8I3N3O/c1-2(15)14-8-4(10)6(12)3(9)7(13)5(8)11/h12-13H2,1H3,(H,14,15)
InChIKeyFZKCAEWEKNKSNI-UHFFFAOYSA-N
MW542.88 g/mol
LogP2.62
Rot. Bonds1

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

N-(3,5-diamino-2,4,6-triiodophenyl)acetamide (PubChem CID 88683947) has the molecular formula C8H8I3N3O and a molecular weight of 542.88 g/mol. Its IUPAC name is N-(3,5-diamino-2,4,6-triiodophenyl)acetamide.

Molecular Properties

Compound NameN-(3,5-diamino-2,4,6-triiodophenyl)acetamide
PubChem CID88683947
Molecular FormulaC8H8I3N3O
Molecular Weight542.88 g/mol
Exact Mass542.78
IUPAC NameN-(3,5-diamino-2,4,6-triiodophenyl)acetamide
SMILESCC(=O)Nc1c(I)c(N)c(I)c(N)c1I
InChIInChI=1S/C8H8I3N3O/c1-2(15)14-8-4(10)6(12)3(9)7(13)5(8)11/h12-13H2,1H3,(H,14,15)
InChIKeyFZKCAEWEKNKSNI-UHFFFAOYSA-N
XLogP2.62
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.88
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3,5-diamino-2,4,6-triiodophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,5-diamino-2,4,6-triiodophenyl)acetamide?
The IUPAC name of N-(3,5-diamino-2,4,6-triiodophenyl)acetamide (CID 88683947) is N-(3,5-diamino-2,4,6-triiodophenyl)acetamide.
What is the SMILES notation for N-(3,5-diamino-2,4,6-triiodophenyl)acetamide?
The canonical SMILES for N-(3,5-diamino-2,4,6-triiodophenyl)acetamide is CC(=O)Nc1c(I)c(N)c(I)c(N)c1I.
What is the InChIKey of N-(3,5-diamino-2,4,6-triiodophenyl)acetamide?
The InChIKey is FZKCAEWEKNKSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8I3N3O/c1-2(15)14-8-4(10)6(12)3(9)7(13)5(8)11/h12-13H2,1H3,(H,14,15).
What are the key properties of N-(3,5-diamino-2,4,6-triiodophenyl)acetamide?
N-(3,5-diamino-2,4,6-triiodophenyl)acetamide has a molecular weight of 542.88 g/mol, XLogP of 2.62, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-diamino-2,4,6-triiodophenyl)acetamide is sourced from PubChem (CID 88683947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).