2-(4-bromo-2-chloro-6-methylphenyl)isoindole-1,3-dione

C15H9BrClNO2 — CID 168516145

IUPAC2-(4-bromo-2-chloro-6-methylphenyl)isoindole-1,3-dione
SMILESCc1cc(Br)cc(Cl)c1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H9BrClNO2/c1-8-6-9(16)7-12(17)13(8)18-14(19)10-4-2-3-5-11(10)15(18)20/h2-7H,1H3
InChIKeyOYMHFZIGUQLPLX-UHFFFAOYSA-N
MW350.60 g/mol
LogP4.21
Rot. Bonds1

About 2-(4-bromo-2-chloro-6-methylphenyl)isoindole-1,3-dione

2-(4-bromo-2-chloro-6-methylphenyl)isoindole-1,3-dione (PubChem CID 168516145) has the molecular formula C15H9BrClNO2 and a molecular weight of 350.60 g/mol. Its IUPAC name is 2-(4-bromo-2-chloro-6-methylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(4-bromo-2-chloro-6-methylphenyl)isoindole-1,3-dione
PubChem CID168516145
Molecular FormulaC15H9BrClNO2
Molecular Weight350.60 g/mol
Exact Mass348.95
IUPAC Name2-(4-bromo-2-chloro-6-methylphenyl)isoindole-1,3-dione
SMILESCc1cc(Br)cc(Cl)c1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H9BrClNO2/c1-8-6-9(16)7-12(17)13(8)18-14(19)10-4-2-3-5-11(10)15(18)20/h2-7H,1H3
InChIKeyOYMHFZIGUQLPLX-UHFFFAOYSA-N
XLogP4.21
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.60
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-(4-bromo-2,6-dimethylphenyl)isoindole-1,3-dione
CID 60976544
2-(2,6-dibromo-4-propan-2-ylphenyl)isoindole-1,3-dione
CID 118326346
2-(2-bromo-6-methyl-4-nitrophenyl)isoindole-1,3-dione
CID 168516023
methyl 2,6-dibromo-4-chloro-3-(1,3-dioxoisoindol-2-yl)benzoate
CID 168516487
3,5-dichloro-4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide
CID 168519790
2-(2,4-dibromo-3,5-dichlorophenyl)isoindole-1,3-dione
CID 168516524
2-(2,6-dibromo-4-methyl-3-nitrophenyl)isoindole-1,3-dione
CID 168519735
3,5-dichloro-2-(1,3-dioxoisoindol-2-yl)benzoic acid
CID 131107493
2-[4-bromo-2-(hydroxymethyl)-6-methoxyphenyl]isoindole-1,3-dione
CID 168517518
2-(1,3-dioxoisoindol-2-yl)-5-iodo-3-methylbenzoic acid
CID 168517368
N-[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3508884
2-(3-bromo-5-chloro-4-hydroxyphenyl)isoindole-1,3-dione
CID 168517011

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chloro-6-methylphenyl)isoindole-1,3-dione?
The IUPAC name of 2-(4-bromo-2-chloro-6-methylphenyl)isoindole-1,3-dione (CID 168516145) is 2-(4-bromo-2-chloro-6-methylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(4-bromo-2-chloro-6-methylphenyl)isoindole-1,3-dione?
The canonical SMILES for 2-(4-bromo-2-chloro-6-methylphenyl)isoindole-1,3-dione is Cc1cc(Br)cc(Cl)c1N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(4-bromo-2-chloro-6-methylphenyl)isoindole-1,3-dione?
The InChIKey is OYMHFZIGUQLPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClNO2/c1-8-6-9(16)7-12(17)13(8)18-14(19)10-4-2-3-5-11(10)15(18)20/h2-7H,1H3.
What are the key properties of 2-(4-bromo-2-chloro-6-methylphenyl)isoindole-1,3-dione?
2-(4-bromo-2-chloro-6-methylphenyl)isoindole-1,3-dione has a molecular weight of 350.60 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chloro-6-methylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 168516145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).