2-(4-bromo-3-chlorophenyl)-6-fluoro-3H-isoindol-1-imine

C14H9BrClFN2 — CID 107613346

IUPAC2-(4-bromo-3-chlorophenyl)-6-fluoro-3H-isoindol-1-imine
SMILES[H]/N=C1\c2cc(F)ccc2CN1c1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H9BrClFN2/c15-12-4-3-10(6-13(12)16)19-7-8-1-2-9(17)5-11(8)14(19)18/h1-6,18H,7H2/b18-14+
InChIKeyHLVVTRRQWMDLQP-NBVRZTHBSA-N
MW339.60 g/mol
LogP4.59
Rot. Bonds1

About 2-(4-bromo-3-chlorophenyl)-6-fluoro-3H-isoindol-1-imine

2-(4-bromo-3-chlorophenyl)-6-fluoro-3H-isoindol-1-imine (PubChem CID 107613346) has the molecular formula C14H9BrClFN2 and a molecular weight of 339.60 g/mol. Its IUPAC name is 2-(4-bromo-3-chlorophenyl)-6-fluoro-3H-isoindol-1-imine.

Molecular Properties

Compound Name2-(4-bromo-3-chlorophenyl)-6-fluoro-3H-isoindol-1-imine
PubChem CID107613346
Molecular FormulaC14H9BrClFN2
Molecular Weight339.60 g/mol
Exact Mass337.96
IUPAC Name2-(4-bromo-3-chlorophenyl)-6-fluoro-3H-isoindol-1-imine
SMILES[H]/N=C1\c2cc(F)ccc2CN1c1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H9BrClFN2/c15-12-4-3-10(6-13(12)16)19-7-8-1-2-9(17)5-11(8)14(19)18/h1-6,18H,7H2/b18-14+
InChIKeyHLVVTRRQWMDLQP-NBVRZTHBSA-N
XLogP4.59
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.60
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dichlorophenyl)-6-fluoro-3H-isoindol-1-imine
CID 63536476
2-(4-chlorophenyl)-6-fluoro-3H-isoindol-1-imine
CID 63291735
2-(4-chloro-3-methoxyphenyl)-6-fluoro-3H-isoindol-1-imine
CID 107622111
2-(2-bromo-5-methylphenyl)-6-fluoro-3H-isoindol-1-imine
CID 82757512
6-fluoro-2-(3-methylphenyl)-3H-isoindol-1-imine
CID 63291650
2-(2,4-dichlorophenyl)-6-fluoro-3H-isoindol-1-imine
CID 63536797
2-(2,4-dibromophenyl)-6-fluoro-3H-isoindol-1-imine
CID 63534945
2-[4-(difluoromethoxy)phenyl]-6-fluoro-3H-isoindol-1-imine
CID 63291212
2-(2,5-difluorophenyl)-6-fluoro-3H-isoindol-1-imine
CID 63291429
3-(5-fluoro-3-imino-1H-isoindol-2-yl)benzonitrile
CID 55172909
2-(3-bromo-4-fluorophenyl)-3H-isoindol-1-imine
CID 104779801
2-(2-bromo-5-fluorophenyl)-3H-isoindol-1-imine
CID 107636514

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-chlorophenyl)-6-fluoro-3H-isoindol-1-imine?
The IUPAC name of 2-(4-bromo-3-chlorophenyl)-6-fluoro-3H-isoindol-1-imine (CID 107613346) is 2-(4-bromo-3-chlorophenyl)-6-fluoro-3H-isoindol-1-imine.
What is the SMILES notation for 2-(4-bromo-3-chlorophenyl)-6-fluoro-3H-isoindol-1-imine?
The canonical SMILES for 2-(4-bromo-3-chlorophenyl)-6-fluoro-3H-isoindol-1-imine is [H]/N=C1\c2cc(F)ccc2CN1c1ccc(Br)c(Cl)c1.
What is the InChIKey of 2-(4-bromo-3-chlorophenyl)-6-fluoro-3H-isoindol-1-imine?
The InChIKey is HLVVTRRQWMDLQP-NBVRZTHBSA-N. The full InChI is InChI=1S/C14H9BrClFN2/c15-12-4-3-10(6-13(12)16)19-7-8-1-2-9(17)5-11(8)14(19)18/h1-6,18H,7H2/b18-14+.
What are the key properties of 2-(4-bromo-3-chlorophenyl)-6-fluoro-3H-isoindol-1-imine?
2-(4-bromo-3-chlorophenyl)-6-fluoro-3H-isoindol-1-imine has a molecular weight of 339.60 g/mol, XLogP of 4.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-chlorophenyl)-6-fluoro-3H-isoindol-1-imine is sourced from PubChem (CID 107613346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).