2-(3-chloro-4-methylphenyl)isoindole-1,3-dione

C15H10ClNO2 — CID 644566

IUPAC2-(3-chloro-4-methylphenyl)isoindole-1,3-dione
SMILESCc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl
InChIInChI=1S/C15H10ClNO2/c1-9-6-7-10(8-13(9)16)17-14(18)11-4-2-3-5-12(11)15(17)19/h2-8H,1H3
InChIKeyQSBKETHUHHJHCB-UHFFFAOYSA-N
MW271.70 g/mol
LogP3.45
Rot. Bonds1

About 2-(3-chloro-4-methylphenyl)isoindole-1,3-dione

2-(3-chloro-4-methylphenyl)isoindole-1,3-dione (PubChem CID 644566) has the molecular formula C15H10ClNO2 and a molecular weight of 271.70 g/mol. Its IUPAC name is 2-(3-chloro-4-methylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(3-chloro-4-methylphenyl)isoindole-1,3-dione
PubChem CID644566
Molecular FormulaC15H10ClNO2
Molecular Weight271.70 g/mol
Exact Mass271.04
IUPAC Name2-(3-chloro-4-methylphenyl)isoindole-1,3-dione
SMILESCc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl
InChIInChI=1S/C15H10ClNO2/c1-9-6-7-10(8-13(9)16)17-14(18)11-4-2-3-5-12(11)15(17)19/h2-8H,1H3
InChIKeyQSBKETHUHHJHCB-UHFFFAOYSA-N
XLogP3.45
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 53.45
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-chloro-4-methylphenyl)isoindole-1,3-dione?
The IUPAC name of 2-(3-chloro-4-methylphenyl)isoindole-1,3-dione (CID 644566) is 2-(3-chloro-4-methylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(3-chloro-4-methylphenyl)isoindole-1,3-dione?
The canonical SMILES for 2-(3-chloro-4-methylphenyl)isoindole-1,3-dione is Cc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methylphenyl)isoindole-1,3-dione?
The InChIKey is QSBKETHUHHJHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO2/c1-9-6-7-10(8-13(9)16)17-14(18)11-4-2-3-5-12(11)15(17)19/h2-8H,1H3.
What are the key properties of 2-(3-chloro-4-methylphenyl)isoindole-1,3-dione?
2-(3-chloro-4-methylphenyl)isoindole-1,3-dione has a molecular weight of 271.70 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 644566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).