6-[(4-bromophenyl)methyl-methylamino]-1H-indole-2,3-dione

C16H13BrN2O2 — CID 61415351

IUPAC6-[(4-bromophenyl)methyl-methylamino]-1H-indole-2,3-dione
SMILESCN(Cc1ccc(Br)cc1)c1ccc2c(c1)NC(=O)C2=O
InChIInChI=1S/C16H13BrN2O2/c1-19(9-10-2-4-11(17)5-3-10)12-6-7-13-14(8-12)18-16(21)15(13)20/h2-8H,9H2,1H3,(H,18,20,21)
InChIKeySOYJNUYYWFRGOZ-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.22
Rot. Bonds3

About 6-[(4-bromophenyl)methyl-methylamino]-1H-indole-2,3-dione

6-[(4-bromophenyl)methyl-methylamino]-1H-indole-2,3-dione (PubChem CID 61415351) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is 6-[(4-bromophenyl)methyl-methylamino]-1H-indole-2,3-dione.

Molecular Properties

Compound Name6-[(4-bromophenyl)methyl-methylamino]-1H-indole-2,3-dione
PubChem CID61415351
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC Name6-[(4-bromophenyl)methyl-methylamino]-1H-indole-2,3-dione
SMILESCN(Cc1ccc(Br)cc1)c1ccc2c(c1)NC(=O)C2=O
InChIInChI=1S/C16H13BrN2O2/c1-19(9-10-2-4-11(17)5-3-10)12-6-7-13-14(8-12)18-16(21)15(13)20/h2-8H,9H2,1H3,(H,18,20,21)
InChIKeySOYJNUYYWFRGOZ-UHFFFAOYSA-N
XLogP3.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[(4-bromophenyl)methyl-methylamino]-1H-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 6-[(4-bromophenyl)methyl-methylamino]-1H-indole-2,3-dione?
The IUPAC name of 6-[(4-bromophenyl)methyl-methylamino]-1H-indole-2,3-dione (CID 61415351) is 6-[(4-bromophenyl)methyl-methylamino]-1H-indole-2,3-dione.
What is the SMILES notation for 6-[(4-bromophenyl)methyl-methylamino]-1H-indole-2,3-dione?
The canonical SMILES for 6-[(4-bromophenyl)methyl-methylamino]-1H-indole-2,3-dione is CN(Cc1ccc(Br)cc1)c1ccc2c(c1)NC(=O)C2=O.
What is the InChIKey of 6-[(4-bromophenyl)methyl-methylamino]-1H-indole-2,3-dione?
The InChIKey is SOYJNUYYWFRGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c1-19(9-10-2-4-11(17)5-3-10)12-6-7-13-14(8-12)18-16(21)15(13)20/h2-8H,9H2,1H3,(H,18,20,21).
What are the key properties of 6-[(4-bromophenyl)methyl-methylamino]-1H-indole-2,3-dione?
6-[(4-bromophenyl)methyl-methylamino]-1H-indole-2,3-dione has a molecular weight of 345.20 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-bromophenyl)methyl-methylamino]-1H-indole-2,3-dione is sourced from PubChem (CID 61415351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).