1-(4-bromo-3-methylphenyl)-3,4-dichloropyrrole-2,5-dione

C11H6BrCl2NO2 — CID 2781117

IUPAC1-(4-bromo-3-methylphenyl)-3,4-dichloropyrrole-2,5-dione
SMILESCc1cc(N2C(=O)C(Cl)=C(Cl)C2=O)ccc1Br
InChIInChI=1S/C11H6BrCl2NO2/c1-5-4-6(2-3-7(5)12)15-10(16)8(13)9(14)11(15)17/h2-4H,1H3
InChIKeyUVJNAKWKPSDJIS-UHFFFAOYSA-N
MW334.98 g/mol
LogP3.32
Rot. Bonds1

About 1-(4-bromo-3-methylphenyl)-3,4-dichloropyrrole-2,5-dione

1-(4-bromo-3-methylphenyl)-3,4-dichloropyrrole-2,5-dione (PubChem CID 2781117) has the molecular formula C11H6BrCl2NO2 and a molecular weight of 334.98 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-3,4-dichloropyrrole-2,5-dione.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-3,4-dichloropyrrole-2,5-dione
PubChem CID2781117
Molecular FormulaC11H6BrCl2NO2
Molecular Weight334.98 g/mol
Exact Mass332.90
IUPAC Name1-(4-bromo-3-methylphenyl)-3,4-dichloropyrrole-2,5-dione
SMILESCc1cc(N2C(=O)C(Cl)=C(Cl)C2=O)ccc1Br
InChIInChI=1S/C11H6BrCl2NO2/c1-5-4-6(2-3-7(5)12)15-10(16)8(13)9(14)11(15)17/h2-4H,1H3
InChIKeyUVJNAKWKPSDJIS-UHFFFAOYSA-N
XLogP3.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.98
LogP ≤ 53.32
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-(4-bromo-3-methylphenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione
CID 3016137
4-(4-bromo-3-methylphenyl)thiomorpholine-3,5-dione
CID 112683688
4-amino-2-(4-bromo-3-methylphenyl)isoindole-1,3-dione
CID 23825763
1-(4-bromo-3-methylphenyl)-3-methylpyrrolidine-2,5-dione
CID 55139506
3-chloro-4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)pyrrole-2,5-dione
CID 110584110
(1R,2R,6S,7R)-4-(4-bromo-3-methylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 23376421
2-(3-bromo-4-methylphenyl)-5-chloroisoindole-1,3-dione
CID 1219486
1-(4-bromo-3-methylphenyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 115946331
4-(4-bromo-3-methylphenyl)-4,10-diazabicyclo[5.2.1]decane-3,5-dione
CID 71017128
7-(4-bromo-3-methylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112598960
(7aS)-2-(4-bromo-3-methylphenyl)-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione;methane
CID 159660048
3,4-dichloro-1-(3-chloro-4-hydroxyphenyl)pyrrole-2,5-dione
CID 139805892

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-3,4-dichloropyrrole-2,5-dione?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-3,4-dichloropyrrole-2,5-dione (CID 2781117) is 1-(4-bromo-3-methylphenyl)-3,4-dichloropyrrole-2,5-dione.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-3,4-dichloropyrrole-2,5-dione?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-3,4-dichloropyrrole-2,5-dione is Cc1cc(N2C(=O)C(Cl)=C(Cl)C2=O)ccc1Br.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-3,4-dichloropyrrole-2,5-dione?
The InChIKey is UVJNAKWKPSDJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrCl2NO2/c1-5-4-6(2-3-7(5)12)15-10(16)8(13)9(14)11(15)17/h2-4H,1H3.
What are the key properties of 1-(4-bromo-3-methylphenyl)-3,4-dichloropyrrole-2,5-dione?
1-(4-bromo-3-methylphenyl)-3,4-dichloropyrrole-2,5-dione has a molecular weight of 334.98 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)-3,4-dichloropyrrole-2,5-dione is sourced from PubChem (CID 2781117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).