N,3-bis(4-fluorophenyl)isoindol-1-imine

C20H12F2N2 — CID 139253183

IUPACN,3-bis(4-fluorophenyl)isoindol-1-imine
SMILESFc1ccc(/N=C2\N=C(c3ccc(F)cc3)c3ccccc32)cc1
InChIInChI=1S/C20H12F2N2/c21-14-7-5-13(6-8-14)19-17-3-1-2-4-18(17)20(24-19)23-16-11-9-15(22)10-12-16/h1-12H/b23-20-
InChIKeyIKVXKNPPQPOVLQ-ATJXCDBQSA-N
MW318.33 g/mol
LogP4.89
Rot. Bonds2

About N,3-bis(4-fluorophenyl)isoindol-1-imine

N,3-bis(4-fluorophenyl)isoindol-1-imine (PubChem CID 139253183) has the molecular formula C20H12F2N2 and a molecular weight of 318.33 g/mol. Its IUPAC name is N,3-bis(4-fluorophenyl)isoindol-1-imine.

Molecular Properties

Compound NameN,3-bis(4-fluorophenyl)isoindol-1-imine
PubChem CID139253183
Molecular FormulaC20H12F2N2
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC NameN,3-bis(4-fluorophenyl)isoindol-1-imine
SMILESFc1ccc(/N=C2\N=C(c3ccc(F)cc3)c3ccccc32)cc1
InChIInChI=1S/C20H12F2N2/c21-14-7-5-13(6-8-14)19-17-3-1-2-4-18(17)20(24-19)23-16-11-9-15(22)10-12-16/h1-12H/b23-20-
InChIKeyIKVXKNPPQPOVLQ-ATJXCDBQSA-N
XLogP4.89
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,3-bis(4-fluorophenyl)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 N,3-bis(4-fluorophenyl)isoindol-1-imine?
The IUPAC name of N,3-bis(4-fluorophenyl)isoindol-1-imine (CID 139253183) is N,3-bis(4-fluorophenyl)isoindol-1-imine.
What is the SMILES notation for N,3-bis(4-fluorophenyl)isoindol-1-imine?
The canonical SMILES for N,3-bis(4-fluorophenyl)isoindol-1-imine is Fc1ccc(/N=C2\N=C(c3ccc(F)cc3)c3ccccc32)cc1.
What is the InChIKey of N,3-bis(4-fluorophenyl)isoindol-1-imine?
The InChIKey is IKVXKNPPQPOVLQ-ATJXCDBQSA-N. The full InChI is InChI=1S/C20H12F2N2/c21-14-7-5-13(6-8-14)19-17-3-1-2-4-18(17)20(24-19)23-16-11-9-15(22)10-12-16/h1-12H/b23-20-.
What are the key properties of N,3-bis(4-fluorophenyl)isoindol-1-imine?
N,3-bis(4-fluorophenyl)isoindol-1-imine has a molecular weight of 318.33 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-bis(4-fluorophenyl)isoindol-1-imine is sourced from PubChem (CID 139253183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).