5-iodo-2-(4-iodophenyl)isoindole-1,3-dione

C14H7I2NO2 — CID 19737610

IUPAC5-iodo-2-(4-iodophenyl)isoindole-1,3-dione
SMILESO=C1c2ccc(I)cc2C(=O)N1c1ccc(I)cc1
InChIInChI=1S/C14H7I2NO2/c15-8-1-4-10(5-2-8)17-13(18)11-6-3-9(16)7-12(11)14(17)19/h1-7H
InChIKeyUUCBXVMWNILYBT-UHFFFAOYSA-N
MW475.02 g/mol
LogP3.70
Rot. Bonds1

About 5-iodo-2-(4-iodophenyl)isoindole-1,3-dione

5-iodo-2-(4-iodophenyl)isoindole-1,3-dione (PubChem CID 19737610) has the molecular formula C14H7I2NO2 and a molecular weight of 475.02 g/mol. Its IUPAC name is 5-iodo-2-(4-iodophenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-iodo-2-(4-iodophenyl)isoindole-1,3-dione
PubChem CID19737610
Molecular FormulaC14H7I2NO2
Molecular Weight475.02 g/mol
Exact Mass474.86
IUPAC Name5-iodo-2-(4-iodophenyl)isoindole-1,3-dione
SMILESO=C1c2ccc(I)cc2C(=O)N1c1ccc(I)cc1
InChIInChI=1S/C14H7I2NO2/c15-8-1-4-10(5-2-8)17-13(18)11-6-3-9(16)7-12(11)14(17)19/h1-7H
InChIKeyUUCBXVMWNILYBT-UHFFFAOYSA-N
XLogP3.70
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.02
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(4-iodophenyl)isoindole-1,3-dione?
The IUPAC name of 5-iodo-2-(4-iodophenyl)isoindole-1,3-dione (CID 19737610) is 5-iodo-2-(4-iodophenyl)isoindole-1,3-dione.
What is the SMILES notation for 5-iodo-2-(4-iodophenyl)isoindole-1,3-dione?
The canonical SMILES for 5-iodo-2-(4-iodophenyl)isoindole-1,3-dione is O=C1c2ccc(I)cc2C(=O)N1c1ccc(I)cc1.
What is the InChIKey of 5-iodo-2-(4-iodophenyl)isoindole-1,3-dione?
The InChIKey is UUCBXVMWNILYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7I2NO2/c15-8-1-4-10(5-2-8)17-13(18)11-6-3-9(16)7-12(11)14(17)19/h1-7H.
What are the key properties of 5-iodo-2-(4-iodophenyl)isoindole-1,3-dione?
5-iodo-2-(4-iodophenyl)isoindole-1,3-dione has a molecular weight of 475.02 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(4-iodophenyl)isoindole-1,3-dione is sourced from PubChem (CID 19737610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).