2-(3-bromo-4-fluorophenyl)-3H-isoindol-1-imine

C14H10BrFN2 — CID 104779801

IUPAC2-(3-bromo-4-fluorophenyl)-3H-isoindol-1-imine
SMILES[H]/N=C1\c2ccccc2CN1c1ccc(F)c(Br)c1
InChIInChI=1S/C14H10BrFN2/c15-12-7-10(5-6-13(12)16)18-8-9-3-1-2-4-11(9)14(18)17/h1-7,17H,8H2/b17-14+
InChIKeyGZSDLCYXMRNXAZ-SAPNQHFASA-N
MW305.15 g/mol
LogP3.93
Rot. Bonds1

About 2-(3-bromo-4-fluorophenyl)-3H-isoindol-1-imine

2-(3-bromo-4-fluorophenyl)-3H-isoindol-1-imine (PubChem CID 104779801) has the molecular formula C14H10BrFN2 and a molecular weight of 305.15 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-3H-isoindol-1-imine.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-3H-isoindol-1-imine
PubChem CID104779801
Molecular FormulaC14H10BrFN2
Molecular Weight305.15 g/mol
Exact Mass304.00
IUPAC Name2-(3-bromo-4-fluorophenyl)-3H-isoindol-1-imine
SMILES[H]/N=C1\c2ccccc2CN1c1ccc(F)c(Br)c1
InChIInChI=1S/C14H10BrFN2/c15-12-7-10(5-6-13(12)16)18-8-9-3-1-2-4-11(9)14(18)17/h1-7,17H,8H2/b17-14+
InChIKeyGZSDLCYXMRNXAZ-SAPNQHFASA-N
XLogP3.93
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.15
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-(3-bromo-4-fluorophenyl)-3H-isoindol-1-imine 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 2-(3-bromo-4-fluorophenyl)-3H-isoindol-1-imine?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-3H-isoindol-1-imine (CID 104779801) is 2-(3-bromo-4-fluorophenyl)-3H-isoindol-1-imine.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-3H-isoindol-1-imine?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-3H-isoindol-1-imine is [H]/N=C1\c2ccccc2CN1c1ccc(F)c(Br)c1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-3H-isoindol-1-imine?
The InChIKey is GZSDLCYXMRNXAZ-SAPNQHFASA-N. The full InChI is InChI=1S/C14H10BrFN2/c15-12-7-10(5-6-13(12)16)18-8-9-3-1-2-4-11(9)14(18)17/h1-7,17H,8H2/b17-14+.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-3H-isoindol-1-imine?
2-(3-bromo-4-fluorophenyl)-3H-isoindol-1-imine has a molecular weight of 305.15 g/mol, XLogP of 3.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-3H-isoindol-1-imine is sourced from PubChem (CID 104779801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).