2-(3-bromophenyl)-5-methylisoindole-1,3-dione

C15H10BrNO2 — CID 43236211

IUPAC2-(3-bromophenyl)-5-methylisoindole-1,3-dione
SMILESCc1ccc2c(c1)C(=O)N(c1cccc(Br)c1)C2=O
InChIInChI=1S/C15H10BrNO2/c1-9-5-6-12-13(7-9)15(19)17(14(12)18)11-4-2-3-10(16)8-11/h2-8H,1H3
InChIKeySLOGAFPNRCTGRW-UHFFFAOYSA-N
MW316.15 g/mol
LogP3.56
Rot. Bonds1

About 2-(3-bromophenyl)-5-methylisoindole-1,3-dione

2-(3-bromophenyl)-5-methylisoindole-1,3-dione (PubChem CID 43236211) has the molecular formula C15H10BrNO2 and a molecular weight of 316.15 g/mol. Its IUPAC name is 2-(3-bromophenyl)-5-methylisoindole-1,3-dione.

Molecular Properties

Compound Name2-(3-bromophenyl)-5-methylisoindole-1,3-dione
PubChem CID43236211
Molecular FormulaC15H10BrNO2
Molecular Weight316.15 g/mol
Exact Mass314.99
IUPAC Name2-(3-bromophenyl)-5-methylisoindole-1,3-dione
SMILESCc1ccc2c(c1)C(=O)N(c1cccc(Br)c1)C2=O
InChIInChI=1S/C15H10BrNO2/c1-9-5-6-12-13(7-9)15(19)17(14(12)18)11-4-2-3-10(16)8-11/h2-8H,1H3
InChIKeySLOGAFPNRCTGRW-UHFFFAOYSA-N
XLogP3.56
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.15
LogP ≤ 53.56
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

2-[3-(hydroxymethyl)phenyl]-5-methylisoindole-1,3-dione
CID 61207714
5-methyl-2-[3-[3-(3-methylphenoxy)phenoxy]phenyl]isoindole-1,3-dione
CID 90304687
[3-(5-methyl-1,3-dioxoisoindol-2-yl)phenyl]-triphenylphosphanium
CID 59031839
2-(2,5-dibromophenyl)-5-methylisoindole-1,3-dione
CID 17132722
4-(5-methyl-1,3-dioxoisoindol-2-yl)benzaldehyde
CID 106913647
3-(5-bromo-1,3-dioxoisoindol-2-yl)benzoic acid
CID 690729
5-methyl-2-(3,4,5-trichlorophenyl)isoindole-1,3-dione
CID 53231887
1-(3-bromophenyl)-5-[(4-methylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 2879994
1-(3-bromophenyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110573310
2-[4-(hydroxymethyl)phenyl]-5-methylisoindole-1,3-dione
CID 64794337
1-(3-bromophenyl)-3-[2-hydroxyethyl(methyl)amino]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573314
2-[1-(3-bromophenyl)-5-methylpyrazol-4-yl]isoindole-1,3-dione
CID 118969811

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-5-methylisoindole-1,3-dione?
The IUPAC name of 2-(3-bromophenyl)-5-methylisoindole-1,3-dione (CID 43236211) is 2-(3-bromophenyl)-5-methylisoindole-1,3-dione.
What is the SMILES notation for 2-(3-bromophenyl)-5-methylisoindole-1,3-dione?
The canonical SMILES for 2-(3-bromophenyl)-5-methylisoindole-1,3-dione is Cc1ccc2c(c1)C(=O)N(c1cccc(Br)c1)C2=O.
What is the InChIKey of 2-(3-bromophenyl)-5-methylisoindole-1,3-dione?
The InChIKey is SLOGAFPNRCTGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNO2/c1-9-5-6-12-13(7-9)15(19)17(14(12)18)11-4-2-3-10(16)8-11/h2-8H,1H3.
What are the key properties of 2-(3-bromophenyl)-5-methylisoindole-1,3-dione?
2-(3-bromophenyl)-5-methylisoindole-1,3-dione has a molecular weight of 316.15 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-5-methylisoindole-1,3-dione is sourced from PubChem (CID 43236211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).