1-(4-bromophenyl)indole-2,3-dione

C14H8BrNO2 — CID 53359241

IUPAC1-(4-bromophenyl)indole-2,3-dione
SMILESO=C1C(=O)N(c2ccc(Br)cc2)c2ccccc21
InChIInChI=1S/C14H8BrNO2/c15-9-5-7-10(8-6-9)16-12-4-2-1-3-11(12)13(17)14(16)18/h1-8H
InChIKeyVQLAUQNJWFSBHQ-UHFFFAOYSA-N
MW302.13 g/mol
LogP3.31
Rot. Bonds1

About 1-(4-bromophenyl)indole-2,3-dione

1-(4-bromophenyl)indole-2,3-dione (PubChem CID 53359241) has the molecular formula C14H8BrNO2 and a molecular weight of 302.13 g/mol. Its IUPAC name is 1-(4-bromophenyl)indole-2,3-dione.

Molecular Properties

Compound Name1-(4-bromophenyl)indole-2,3-dione
PubChem CID53359241
Molecular FormulaC14H8BrNO2
Molecular Weight302.13 g/mol
Exact Mass300.97
IUPAC Name1-(4-bromophenyl)indole-2,3-dione
SMILESO=C1C(=O)N(c2ccc(Br)cc2)c2ccccc21
InChIInChI=1S/C14H8BrNO2/c15-9-5-7-10(8-6-9)16-12-4-2-1-3-11(12)13(17)14(16)18/h1-8H
InChIKeyVQLAUQNJWFSBHQ-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-(4-bromophenyl)indole-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)indole-2,3-dione?
The IUPAC name of 1-(4-bromophenyl)indole-2,3-dione (CID 53359241) is 1-(4-bromophenyl)indole-2,3-dione.
What is the SMILES notation for 1-(4-bromophenyl)indole-2,3-dione?
The canonical SMILES for 1-(4-bromophenyl)indole-2,3-dione is O=C1C(=O)N(c2ccc(Br)cc2)c2ccccc21.
What is the InChIKey of 1-(4-bromophenyl)indole-2,3-dione?
The InChIKey is VQLAUQNJWFSBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrNO2/c15-9-5-7-10(8-6-9)16-12-4-2-1-3-11(12)13(17)14(16)18/h1-8H.
What are the key properties of 1-(4-bromophenyl)indole-2,3-dione?
1-(4-bromophenyl)indole-2,3-dione has a molecular weight of 302.13 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)indole-2,3-dione is sourced from PubChem (CID 53359241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).