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

C15H9Cl2NO2 — CID 818224

IUPAC5,6-dichloro-2-(4-methylphenyl)isoindole-1,3-dione
SMILESCc1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1
InChIInChI=1S/C15H9Cl2NO2/c1-8-2-4-9(5-3-8)18-14(19)10-6-12(16)13(17)7-11(10)15(18)20/h2-7H,1H3
InChIKeyYPILMSMFVUIXRQ-UHFFFAOYSA-N
MW306.15 g/mol
LogP4.10
Rot. Bonds1

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

5,6-dichloro-2-(4-methylphenyl)isoindole-1,3-dione (PubChem CID 818224) has the molecular formula C15H9Cl2NO2 and a molecular weight of 306.15 g/mol. Its IUPAC name is 5,6-dichloro-2-(4-methylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5,6-dichloro-2-(4-methylphenyl)isoindole-1,3-dione
PubChem CID818224
Molecular FormulaC15H9Cl2NO2
Molecular Weight306.15 g/mol
Exact Mass305.00
IUPAC Name5,6-dichloro-2-(4-methylphenyl)isoindole-1,3-dione
SMILESCc1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1
InChIInChI=1S/C15H9Cl2NO2/c1-8-2-4-9(5-3-8)18-14(19)10-6-12(16)13(17)7-11(10)15(18)20/h2-7H,1H3
InChIKeyYPILMSMFVUIXRQ-UHFFFAOYSA-N
XLogP4.10
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-(4-methylphenyl)isoindole-1,3-dione?
The IUPAC name of 5,6-dichloro-2-(4-methylphenyl)isoindole-1,3-dione (CID 818224) is 5,6-dichloro-2-(4-methylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 5,6-dichloro-2-(4-methylphenyl)isoindole-1,3-dione?
The canonical SMILES for 5,6-dichloro-2-(4-methylphenyl)isoindole-1,3-dione is Cc1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1.
What is the InChIKey of 5,6-dichloro-2-(4-methylphenyl)isoindole-1,3-dione?
The InChIKey is YPILMSMFVUIXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2NO2/c1-8-2-4-9(5-3-8)18-14(19)10-6-12(16)13(17)7-11(10)15(18)20/h2-7H,1H3.
What are the key properties of 5,6-dichloro-2-(4-methylphenyl)isoindole-1,3-dione?
5,6-dichloro-2-(4-methylphenyl)isoindole-1,3-dione has a molecular weight of 306.15 g/mol, XLogP of 4.10, 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-methylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 818224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).