2-[2-(4-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)oxyethoxy]isoindole-1,3-dione

C24H15BrN2O6 — CID 132568118

IUPAC2-[2-(4-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)oxyethoxy]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1OCC(ON1C(=O)c2ccccc2C1=O)c1ccc(Br)cc1
InChIInChI=1S/C24H15BrN2O6/c25-15-11-9-14(10-12-15)20(33-27-23(30)18-7-3-4-8-19(18)24(27)31)13-32-26-21(28)16-5-1-2-6-17(16)22(26)29/h1-12,20H,13H2
InChIKeyZADCIWCDIJYIQP-UHFFFAOYSA-N
MW507.30 g/mol
LogP3.95
Rot. Bonds6

About 2-[2-(4-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)oxyethoxy]isoindole-1,3-dione

2-[2-(4-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)oxyethoxy]isoindole-1,3-dione (PubChem CID 132568118) has the molecular formula C24H15BrN2O6 and a molecular weight of 507.30 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)oxyethoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)oxyethoxy]isoindole-1,3-dione
PubChem CID132568118
Molecular FormulaC24H15BrN2O6
Molecular Weight507.30 g/mol
Exact Mass506.01
IUPAC Name2-[2-(4-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)oxyethoxy]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1OCC(ON1C(=O)c2ccccc2C1=O)c1ccc(Br)cc1
InChIInChI=1S/C24H15BrN2O6/c25-15-11-9-14(10-12-15)20(33-27-23(30)18-7-3-4-8-19(18)24(27)31)13-32-26-21(28)16-5-1-2-6-17(16)22(26)29/h1-12,20H,13H2
InChIKeyZADCIWCDIJYIQP-UHFFFAOYSA-N
XLogP3.95
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.30
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[2-(4-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)oxyethoxy]isoindole-1,3-dione?
The IUPAC name of 2-[2-(4-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)oxyethoxy]isoindole-1,3-dione (CID 132568118) is 2-[2-(4-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)oxyethoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(4-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)oxyethoxy]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(4-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)oxyethoxy]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1OCC(ON1C(=O)c2ccccc2C1=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[2-(4-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)oxyethoxy]isoindole-1,3-dione?
The InChIKey is ZADCIWCDIJYIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15BrN2O6/c25-15-11-9-14(10-12-15)20(33-27-23(30)18-7-3-4-8-19(18)24(27)31)13-32-26-21(28)16-5-1-2-6-17(16)22(26)29/h1-12,20H,13H2.
What are the key properties of 2-[2-(4-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)oxyethoxy]isoindole-1,3-dione?
2-[2-(4-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)oxyethoxy]isoindole-1,3-dione has a molecular weight of 507.30 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)oxyethoxy]isoindole-1,3-dione is sourced from PubChem (CID 132568118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).