6-amino-2-(3-bromophenyl)-3H-isoindol-1-one

C14H11BrN2O — CID 82165752

IUPAC6-amino-2-(3-bromophenyl)-3H-isoindol-1-one
SMILESNc1ccc2c(c1)C(=O)N(c1cccc(Br)c1)C2
InChIInChI=1S/C14H11BrN2O/c15-10-2-1-3-12(6-10)17-8-9-4-5-11(16)7-13(9)14(17)18/h1-7H,8,16H2
InChIKeyGHPRJPUKRFWYHJ-UHFFFAOYSA-N
MW303.16 g/mol
LogP3.19
Rot. Bonds1

About 6-amino-2-(3-bromophenyl)-3H-isoindol-1-one

6-amino-2-(3-bromophenyl)-3H-isoindol-1-one (PubChem CID 82165752) has the molecular formula C14H11BrN2O and a molecular weight of 303.16 g/mol. Its IUPAC name is 6-amino-2-(3-bromophenyl)-3H-isoindol-1-one.

Molecular Properties

Compound Name6-amino-2-(3-bromophenyl)-3H-isoindol-1-one
PubChem CID82165752
Molecular FormulaC14H11BrN2O
Molecular Weight303.16 g/mol
Exact Mass302.01
IUPAC Name6-amino-2-(3-bromophenyl)-3H-isoindol-1-one
SMILESNc1ccc2c(c1)C(=O)N(c1cccc(Br)c1)C2
InChIInChI=1S/C14H11BrN2O/c15-10-2-1-3-12(6-10)17-8-9-4-5-11(16)7-13(9)14(17)18/h1-7H,8,16H2
InChIKeyGHPRJPUKRFWYHJ-UHFFFAOYSA-N
XLogP3.19
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-amino-2-(3-bromophenyl)-3H-isoindol-1-one 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-amino-2-(3-bromophenyl)-3H-isoindol-1-one?
The IUPAC name of 6-amino-2-(3-bromophenyl)-3H-isoindol-1-one (CID 82165752) is 6-amino-2-(3-bromophenyl)-3H-isoindol-1-one.
What is the SMILES notation for 6-amino-2-(3-bromophenyl)-3H-isoindol-1-one?
The canonical SMILES for 6-amino-2-(3-bromophenyl)-3H-isoindol-1-one is Nc1ccc2c(c1)C(=O)N(c1cccc(Br)c1)C2.
What is the InChIKey of 6-amino-2-(3-bromophenyl)-3H-isoindol-1-one?
The InChIKey is GHPRJPUKRFWYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O/c15-10-2-1-3-12(6-10)17-8-9-4-5-11(16)7-13(9)14(17)18/h1-7H,8,16H2.
What are the key properties of 6-amino-2-(3-bromophenyl)-3H-isoindol-1-one?
6-amino-2-(3-bromophenyl)-3H-isoindol-1-one has a molecular weight of 303.16 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(3-bromophenyl)-3H-isoindol-1-one is sourced from PubChem (CID 82165752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).