5-bromo-2-phenylisoindole-1,3-dione

C14H8BrNO2 — CID 835841

IUPAC5-bromo-2-phenylisoindole-1,3-dione
SMILESO=C1c2ccc(Br)cc2C(=O)N1c1ccccc1
InChIInChI=1S/C14H8BrNO2/c15-9-6-7-11-12(8-9)14(18)16(13(11)17)10-4-2-1-3-5-10/h1-8H
InChIKeyVIDLHMORTSMJKV-UHFFFAOYSA-N
MW302.13 g/mol
LogP3.25
Rot. Bonds1

About 5-bromo-2-phenylisoindole-1,3-dione

5-bromo-2-phenylisoindole-1,3-dione (PubChem CID 835841) has the molecular formula C14H8BrNO2 and a molecular weight of 302.13 g/mol. Its IUPAC name is 5-bromo-2-phenylisoindole-1,3-dione.

Molecular Properties

Compound Name5-bromo-2-phenylisoindole-1,3-dione
PubChem CID835841
Molecular FormulaC14H8BrNO2
Molecular Weight302.13 g/mol
Exact Mass300.97
IUPAC Name5-bromo-2-phenylisoindole-1,3-dione
SMILESO=C1c2ccc(Br)cc2C(=O)N1c1ccccc1
InChIInChI=1S/C14H8BrNO2/c15-9-6-7-11-12(8-9)14(18)16(13(11)17)10-4-2-1-3-5-10/h1-8H
InChIKeyVIDLHMORTSMJKV-UHFFFAOYSA-N
XLogP3.25
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.13
LogP ≤ 53.25
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-bromo-2-phenylisoindole-1,3-dione?
The IUPAC name of 5-bromo-2-phenylisoindole-1,3-dione (CID 835841) is 5-bromo-2-phenylisoindole-1,3-dione.
What is the SMILES notation for 5-bromo-2-phenylisoindole-1,3-dione?
The canonical SMILES for 5-bromo-2-phenylisoindole-1,3-dione is O=C1c2ccc(Br)cc2C(=O)N1c1ccccc1.
What is the InChIKey of 5-bromo-2-phenylisoindole-1,3-dione?
The InChIKey is VIDLHMORTSMJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrNO2/c15-9-6-7-11-12(8-9)14(18)16(13(11)17)10-4-2-1-3-5-10/h1-8H.
What are the key properties of 5-bromo-2-phenylisoindole-1,3-dione?
5-bromo-2-phenylisoindole-1,3-dione has a molecular weight of 302.13 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-phenylisoindole-1,3-dione is sourced from PubChem (CID 835841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).