2-(3-chlorophenyl)isoindole-1,3-dione

C14H8ClNO2 — CID 504333

IUPAC2-(3-chlorophenyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C14H8ClNO2/c15-9-4-3-5-10(8-9)16-13(17)11-6-1-2-7-12(11)14(16)18/h1-8H
InChIKeyMIWPRIGNFUWKDN-UHFFFAOYSA-N
MW257.68 g/mol
LogP3.14
Rot. Bonds1

About 2-(3-chlorophenyl)isoindole-1,3-dione

2-(3-chlorophenyl)isoindole-1,3-dione (PubChem CID 504333) has the molecular formula C14H8ClNO2 and a molecular weight of 257.68 g/mol. Its IUPAC name is 2-(3-chlorophenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(3-chlorophenyl)isoindole-1,3-dione
PubChem CID504333
Molecular FormulaC14H8ClNO2
Molecular Weight257.68 g/mol
Exact Mass257.02
IUPAC Name2-(3-chlorophenyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C14H8ClNO2/c15-9-4-3-5-10(8-9)16-13(17)11-6-1-2-7-12(11)14(16)18/h1-8H
InChIKeyMIWPRIGNFUWKDN-UHFFFAOYSA-N
XLogP3.14
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 53.14
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 2-(3-chlorophenyl)isoindole-1,3-dione?
The IUPAC name of 2-(3-chlorophenyl)isoindole-1,3-dione (CID 504333) is 2-(3-chlorophenyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(3-chlorophenyl)isoindole-1,3-dione?
The canonical SMILES for 2-(3-chlorophenyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)isoindole-1,3-dione?
The InChIKey is MIWPRIGNFUWKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClNO2/c15-9-4-3-5-10(8-9)16-13(17)11-6-1-2-7-12(11)14(16)18/h1-8H.
What are the key properties of 2-(3-chlorophenyl)isoindole-1,3-dione?
2-(3-chlorophenyl)isoindole-1,3-dione has a molecular weight of 257.68 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)isoindole-1,3-dione is sourced from PubChem (CID 504333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).