5-amino-2-(2,6-dibromophenyl)isoindole-1,3-dione

C14H8Br2N2O2 — CID 107600970

IUPAC5-amino-2-(2,6-dibromophenyl)isoindole-1,3-dione
SMILESNc1ccc2c(c1)C(=O)N(c1c(Br)cccc1Br)C2=O
InChIInChI=1S/C14H8Br2N2O2/c15-10-2-1-3-11(16)12(10)18-13(19)8-5-4-7(17)6-9(8)14(18)20/h1-6H,17H2
InChIKeyWWMBCORZLKPRBC-UHFFFAOYSA-N
MW396.04 g/mol
LogP3.59
Rot. Bonds1

About 5-amino-2-(2,6-dibromophenyl)isoindole-1,3-dione

5-amino-2-(2,6-dibromophenyl)isoindole-1,3-dione (PubChem CID 107600970) has the molecular formula C14H8Br2N2O2 and a molecular weight of 396.04 g/mol. Its IUPAC name is 5-amino-2-(2,6-dibromophenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-amino-2-(2,6-dibromophenyl)isoindole-1,3-dione
PubChem CID107600970
Molecular FormulaC14H8Br2N2O2
Molecular Weight396.04 g/mol
Exact Mass393.90
IUPAC Name5-amino-2-(2,6-dibromophenyl)isoindole-1,3-dione
SMILESNc1ccc2c(c1)C(=O)N(c1c(Br)cccc1Br)C2=O
InChIInChI=1S/C14H8Br2N2O2/c15-10-2-1-3-11(16)12(10)18-13(19)8-5-4-7(17)6-9(8)14(18)20/h1-6H,17H2
InChIKeyWWMBCORZLKPRBC-UHFFFAOYSA-N
XLogP3.59
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.04
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-2-(2,6-dibromophenyl)isoindole-1,3-dione with MolForge

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

Launch Full Analysis

Related Compounds

5-amino-2-(4-amino-2,6-dichlorophenyl)isoindole-1,3-dione
CID 139787354
5-amino-2-(5-bromo-4-methyl-2-pyridinyl)isoindole-1,3-dione
CID 79730230
5-amino-2-(5-bromo-4-fluoro-2-methylphenyl)isoindole-1,3-dione
CID 107592889
5-amino-2-(2-fluorophenyl)isoindole-1,3-dione
CID 28773180
5-amino-2-(3-methylsulfanylphenyl)isoindole-1,3-dione
CID 28773049
5-amino-2-(4-fluorophenyl)isoindole-1,3-dione
CID 28773111
5-amino-2-(4-bromo-2-ethylphenyl)isoindole-1,3-dione
CID 81289908
5-amino-2-(2-aminoethyl)isoindole-1,3-dione
CID 82506823
2-(4-amino-2,6-difluorophenyl)isoindole-1,3-dione
CID 58758353
5-amino-2-(2-propan-2-ylphenyl)isoindole-1,3-dione
CID 11778411
2-(5-amino-2-fluorophenyl)-5-bromoisoindole-1,3-dione
CID 43167704
5-amino-2-(3,5-dimethoxyphenyl)isoindole-1,3-dione
CID 86258282

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2,6-dibromophenyl)isoindole-1,3-dione?
The IUPAC name of 5-amino-2-(2,6-dibromophenyl)isoindole-1,3-dione (CID 107600970) is 5-amino-2-(2,6-dibromophenyl)isoindole-1,3-dione.
What is the SMILES notation for 5-amino-2-(2,6-dibromophenyl)isoindole-1,3-dione?
The canonical SMILES for 5-amino-2-(2,6-dibromophenyl)isoindole-1,3-dione is Nc1ccc2c(c1)C(=O)N(c1c(Br)cccc1Br)C2=O.
What is the InChIKey of 5-amino-2-(2,6-dibromophenyl)isoindole-1,3-dione?
The InChIKey is WWMBCORZLKPRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2N2O2/c15-10-2-1-3-11(16)12(10)18-13(19)8-5-4-7(17)6-9(8)14(18)20/h1-6H,17H2.
What are the key properties of 5-amino-2-(2,6-dibromophenyl)isoindole-1,3-dione?
5-amino-2-(2,6-dibromophenyl)isoindole-1,3-dione has a molecular weight of 396.04 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2,6-dibromophenyl)isoindole-1,3-dione is sourced from PubChem (CID 107600970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).