5,6-dichloro-2-(4-iodophenyl)isoindole-1,3-dione

C14H6Cl2INO2 — CID 983643

IUPAC5,6-dichloro-2-(4-iodophenyl)isoindole-1,3-dione
SMILESO=C1c2cc(Cl)c(Cl)cc2C(=O)N1c1ccc(I)cc1
InChIInChI=1S/C14H6Cl2INO2/c15-11-5-9-10(6-12(11)16)14(20)18(13(9)19)8-3-1-7(17)2-4-8/h1-6H
InChIKeyMGGSFMUSMMPDFC-UHFFFAOYSA-N
MW418.02 g/mol
LogP4.40
Rot. Bonds1

About 5,6-dichloro-2-(4-iodophenyl)isoindole-1,3-dione

5,6-dichloro-2-(4-iodophenyl)isoindole-1,3-dione (PubChem CID 983643) has the molecular formula C14H6Cl2INO2 and a molecular weight of 418.02 g/mol. Its IUPAC name is 5,6-dichloro-2-(4-iodophenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5,6-dichloro-2-(4-iodophenyl)isoindole-1,3-dione
PubChem CID983643
Molecular FormulaC14H6Cl2INO2
Molecular Weight418.02 g/mol
Exact Mass416.88
IUPAC Name5,6-dichloro-2-(4-iodophenyl)isoindole-1,3-dione
SMILESO=C1c2cc(Cl)c(Cl)cc2C(=O)N1c1ccc(I)cc1
InChIInChI=1S/C14H6Cl2INO2/c15-11-5-9-10(6-12(11)16)14(20)18(13(9)19)8-3-1-7(17)2-4-8/h1-6H
InChIKeyMGGSFMUSMMPDFC-UHFFFAOYSA-N
XLogP4.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.02
LogP ≤ 54.40
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 5,6-dichloro-2-(4-iodophenyl)isoindole-1,3-dione?
The IUPAC name of 5,6-dichloro-2-(4-iodophenyl)isoindole-1,3-dione (CID 983643) is 5,6-dichloro-2-(4-iodophenyl)isoindole-1,3-dione.
What is the SMILES notation for 5,6-dichloro-2-(4-iodophenyl)isoindole-1,3-dione?
The canonical SMILES for 5,6-dichloro-2-(4-iodophenyl)isoindole-1,3-dione is O=C1c2cc(Cl)c(Cl)cc2C(=O)N1c1ccc(I)cc1.
What is the InChIKey of 5,6-dichloro-2-(4-iodophenyl)isoindole-1,3-dione?
The InChIKey is MGGSFMUSMMPDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Cl2INO2/c15-11-5-9-10(6-12(11)16)14(20)18(13(9)19)8-3-1-7(17)2-4-8/h1-6H.
What are the key properties of 5,6-dichloro-2-(4-iodophenyl)isoindole-1,3-dione?
5,6-dichloro-2-(4-iodophenyl)isoindole-1,3-dione has a molecular weight of 418.02 g/mol, XLogP of 4.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-(4-iodophenyl)isoindole-1,3-dione is sourced from PubChem (CID 983643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).