2-(2-bromo-5-methylphenyl)-6-fluoro-3H-isoindol-1-imine

C15H12BrFN2 — CID 82757512

IUPAC2-(2-bromo-5-methylphenyl)-6-fluoro-3H-isoindol-1-imine
SMILES[H]/N=C1\c2cc(F)ccc2CN1c1cc(C)ccc1Br
InChIInChI=1S/C15H12BrFN2/c1-9-2-5-13(16)14(6-9)19-8-10-3-4-11(17)7-12(10)15(19)18/h2-7,18H,8H2,1H3/b18-15+
InChIKeyLSDYJXQYHKWFPJ-OBGWFSINSA-N
MW319.18 g/mol
LogP4.24
Rot. Bonds1

About 2-(2-bromo-5-methylphenyl)-6-fluoro-3H-isoindol-1-imine

2-(2-bromo-5-methylphenyl)-6-fluoro-3H-isoindol-1-imine (PubChem CID 82757512) has the molecular formula C15H12BrFN2 and a molecular weight of 319.18 g/mol. Its IUPAC name is 2-(2-bromo-5-methylphenyl)-6-fluoro-3H-isoindol-1-imine.

Molecular Properties

Compound Name2-(2-bromo-5-methylphenyl)-6-fluoro-3H-isoindol-1-imine
PubChem CID82757512
Molecular FormulaC15H12BrFN2
Molecular Weight319.18 g/mol
Exact Mass318.02
IUPAC Name2-(2-bromo-5-methylphenyl)-6-fluoro-3H-isoindol-1-imine
SMILES[H]/N=C1\c2cc(F)ccc2CN1c1cc(C)ccc1Br
InChIInChI=1S/C15H12BrFN2/c1-9-2-5-13(16)14(6-9)19-8-10-3-4-11(17)7-12(10)15(19)18/h2-7,18H,8H2,1H3/b18-15+
InChIKeyLSDYJXQYHKWFPJ-OBGWFSINSA-N
XLogP4.24
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.18
LogP ≤ 54.24
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-(2-bromo-5-fluorophenyl)-3H-isoindol-1-imine
CID 107636514
2-(2,4-dibromophenyl)-6-fluoro-3H-isoindol-1-imine
CID 63534945
2-(2,5-difluorophenyl)-6-fluoro-3H-isoindol-1-imine
CID 63291429
6-fluoro-2-(3-methylphenyl)-3H-isoindol-1-imine
CID 63291650
2-(4-bromo-3-chlorophenyl)-6-fluoro-3H-isoindol-1-imine
CID 107613346
6-fluoro-2-(4-methoxy-2-methylphenyl)-3H-isoindol-1-imine
CID 63291223
2-(2,4-dichlorophenyl)-6-fluoro-3H-isoindol-1-imine
CID 63536797
2-(4-chloro-2-methoxy-5-methylphenyl)-6-fluoro-3H-isoindol-1-imine
CID 63534774
2-(4-chlorophenyl)-6-fluoro-3H-isoindol-1-imine
CID 63291735
2-(3-ethyl-1-methylpyrazol-4-yl)-6-fluoro-3H-isoindol-1-imine
CID 107463466
2-(3,4-dichlorophenyl)-6-fluoro-3H-isoindol-1-imine
CID 63536476
6-fluoro-2-quinolin-5-yl-3H-isoindol-1-imine
CID 63291206

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methylphenyl)-6-fluoro-3H-isoindol-1-imine?
The IUPAC name of 2-(2-bromo-5-methylphenyl)-6-fluoro-3H-isoindol-1-imine (CID 82757512) is 2-(2-bromo-5-methylphenyl)-6-fluoro-3H-isoindol-1-imine.
What is the SMILES notation for 2-(2-bromo-5-methylphenyl)-6-fluoro-3H-isoindol-1-imine?
The canonical SMILES for 2-(2-bromo-5-methylphenyl)-6-fluoro-3H-isoindol-1-imine is [H]/N=C1\c2cc(F)ccc2CN1c1cc(C)ccc1Br.
What is the InChIKey of 2-(2-bromo-5-methylphenyl)-6-fluoro-3H-isoindol-1-imine?
The InChIKey is LSDYJXQYHKWFPJ-OBGWFSINSA-N. The full InChI is InChI=1S/C15H12BrFN2/c1-9-2-5-13(16)14(6-9)19-8-10-3-4-11(17)7-12(10)15(19)18/h2-7,18H,8H2,1H3/b18-15+.
What are the key properties of 2-(2-bromo-5-methylphenyl)-6-fluoro-3H-isoindol-1-imine?
2-(2-bromo-5-methylphenyl)-6-fluoro-3H-isoindol-1-imine has a molecular weight of 319.18 g/mol, XLogP of 4.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methylphenyl)-6-fluoro-3H-isoindol-1-imine is sourced from PubChem (CID 82757512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).