5,6-dichloro-2-naphthalen-2-ylisoindole-1,3-dione

C18H9Cl2NO2 — CID 683213

IUPAC5,6-dichloro-2-naphthalen-2-ylisoindole-1,3-dione
SMILESO=C1c2cc(Cl)c(Cl)cc2C(=O)N1c1ccc2ccccc2c1
InChIInChI=1S/C18H9Cl2NO2/c19-15-8-13-14(9-16(15)20)18(23)21(17(13)22)12-6-5-10-3-1-2-4-11(10)7-12/h1-9H
InChIKeyFETUPKLZNATIRD-UHFFFAOYSA-N
MW342.18 g/mol
LogP4.95
Rot. Bonds1

About 5,6-dichloro-2-naphthalen-2-ylisoindole-1,3-dione

5,6-dichloro-2-naphthalen-2-ylisoindole-1,3-dione (PubChem CID 683213) has the molecular formula C18H9Cl2NO2 and a molecular weight of 342.18 g/mol. Its IUPAC name is 5,6-dichloro-2-naphthalen-2-ylisoindole-1,3-dione.

Molecular Properties

Compound Name5,6-dichloro-2-naphthalen-2-ylisoindole-1,3-dione
PubChem CID683213
Molecular FormulaC18H9Cl2NO2
Molecular Weight342.18 g/mol
Exact Mass341.00
IUPAC Name5,6-dichloro-2-naphthalen-2-ylisoindole-1,3-dione
SMILESO=C1c2cc(Cl)c(Cl)cc2C(=O)N1c1ccc2ccccc2c1
InChIInChI=1S/C18H9Cl2NO2/c19-15-8-13-14(9-16(15)20)18(23)21(17(13)22)12-6-5-10-3-1-2-4-11(10)7-12/h1-9H
InChIKeyFETUPKLZNATIRD-UHFFFAOYSA-N
XLogP4.95
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 54.95
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-naphthalen-2-ylisoindole-1,3-dione?
The IUPAC name of 5,6-dichloro-2-naphthalen-2-ylisoindole-1,3-dione (CID 683213) is 5,6-dichloro-2-naphthalen-2-ylisoindole-1,3-dione.
What is the SMILES notation for 5,6-dichloro-2-naphthalen-2-ylisoindole-1,3-dione?
The canonical SMILES for 5,6-dichloro-2-naphthalen-2-ylisoindole-1,3-dione is O=C1c2cc(Cl)c(Cl)cc2C(=O)N1c1ccc2ccccc2c1.
What is the InChIKey of 5,6-dichloro-2-naphthalen-2-ylisoindole-1,3-dione?
The InChIKey is FETUPKLZNATIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9Cl2NO2/c19-15-8-13-14(9-16(15)20)18(23)21(17(13)22)12-6-5-10-3-1-2-4-11(10)7-12/h1-9H.
What are the key properties of 5,6-dichloro-2-naphthalen-2-ylisoindole-1,3-dione?
5,6-dichloro-2-naphthalen-2-ylisoindole-1,3-dione has a molecular weight of 342.18 g/mol, XLogP of 4.95, 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-naphthalen-2-ylisoindole-1,3-dione is sourced from PubChem (CID 683213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).