2-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]acetamide

C14H9I4NO3 — CID 71587580

IUPAC2-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]acetamide
SMILESNC(=O)Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1
InChIInChI=1S/C14H9I4NO3/c15-8-4-7(5-9(16)13(8)21)22-14-10(17)1-6(2-11(14)18)3-12(19)20/h1-2,4-5,21H,3H2,(H2,19,20)
InChIKeyMNMHUDWTDPTECO-UHFFFAOYSA-N
MW746.85 g/mol
LogP4.63
Rot. Bonds4

About 2-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]acetamide

2-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]acetamide (PubChem CID 71587580) has the molecular formula C14H9I4NO3 and a molecular weight of 746.85 g/mol. Its IUPAC name is 2-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]acetamide
PubChem CID71587580
Molecular FormulaC14H9I4NO3
Molecular Weight746.85 g/mol
Exact Mass746.68
IUPAC Name2-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]acetamide
SMILESNC(=O)Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1
InChIInChI=1S/C14H9I4NO3/c15-8-4-7(5-9(16)13(8)21)22-14-10(17)1-6(2-11(14)18)3-12(19)20/h1-2,4-5,21H,3H2,(H2,19,20)
InChIKeyMNMHUDWTDPTECO-UHFFFAOYSA-N
XLogP4.63
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500746.85
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]acetamide?
The IUPAC name of 2-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]acetamide (CID 71587580) is 2-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]acetamide.
What is the SMILES notation for 2-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]acetamide?
The canonical SMILES for 2-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]acetamide is NC(=O)Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1.
What is the InChIKey of 2-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]acetamide?
The InChIKey is MNMHUDWTDPTECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9I4NO3/c15-8-4-7(5-9(16)13(8)21)22-14-10(17)1-6(2-11(14)18)3-12(19)20/h1-2,4-5,21H,3H2,(H2,19,20).
What are the key properties of 2-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]acetamide?
2-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]acetamide has a molecular weight of 746.85 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]acetamide is sourced from PubChem (CID 71587580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).