2-(2,4-dichlorophenyl)-6-fluoro-3H-isoindol-1-imine

C14H9Cl2FN2 — CID 63536797

IUPAC2-(2,4-dichlorophenyl)-6-fluoro-3H-isoindol-1-imine
SMILES[H]/N=C1\c2cc(F)ccc2CN1c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H9Cl2FN2/c15-9-2-4-13(12(16)5-9)19-7-8-1-3-10(17)6-11(8)14(19)18/h1-6,18H,7H2/b18-14+
InChIKeyRTHSWPREGAHYHH-NBVRZTHBSA-N
MW295.14 g/mol
LogP4.48
Rot. Bonds1

About 2-(2,4-dichlorophenyl)-6-fluoro-3H-isoindol-1-imine

2-(2,4-dichlorophenyl)-6-fluoro-3H-isoindol-1-imine (PubChem CID 63536797) has the molecular formula C14H9Cl2FN2 and a molecular weight of 295.14 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-6-fluoro-3H-isoindol-1-imine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-6-fluoro-3H-isoindol-1-imine
PubChem CID63536797
Molecular FormulaC14H9Cl2FN2
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC Name2-(2,4-dichlorophenyl)-6-fluoro-3H-isoindol-1-imine
SMILES[H]/N=C1\c2cc(F)ccc2CN1c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H9Cl2FN2/c15-9-2-4-13(12(16)5-9)19-7-8-1-3-10(17)6-11(8)14(19)18/h1-6,18H,7H2/b18-14+
InChIKeyRTHSWPREGAHYHH-NBVRZTHBSA-N
XLogP4.48
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-6-fluoro-3H-isoindol-1-imine?
The IUPAC name of 2-(2,4-dichlorophenyl)-6-fluoro-3H-isoindol-1-imine (CID 63536797) is 2-(2,4-dichlorophenyl)-6-fluoro-3H-isoindol-1-imine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-6-fluoro-3H-isoindol-1-imine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-6-fluoro-3H-isoindol-1-imine is [H]/N=C1\c2cc(F)ccc2CN1c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-6-fluoro-3H-isoindol-1-imine?
The InChIKey is RTHSWPREGAHYHH-NBVRZTHBSA-N. The full InChI is InChI=1S/C14H9Cl2FN2/c15-9-2-4-13(12(16)5-9)19-7-8-1-3-10(17)6-11(8)14(19)18/h1-6,18H,7H2/b18-14+.
What are the key properties of 2-(2,4-dichlorophenyl)-6-fluoro-3H-isoindol-1-imine?
2-(2,4-dichlorophenyl)-6-fluoro-3H-isoindol-1-imine has a molecular weight of 295.14 g/mol, XLogP of 4.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-6-fluoro-3H-isoindol-1-imine is sourced from PubChem (CID 63536797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).