1-(2-bromo-3-chlorophenyl)-3-methylpyrrole-2,5-dione

C11H7BrClNO2 — CID 103480245

IUPAC1-(2-bromo-3-chlorophenyl)-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(c2cccc(Cl)c2Br)C1=O
InChIInChI=1S/C11H7BrClNO2/c1-6-5-9(15)14(11(6)16)8-4-2-3-7(13)10(8)12/h2-5H,1H3
InChIKeyXHOLHIBJUNDHSL-UHFFFAOYSA-N
MW300.54 g/mol
LogP2.92
Rot. Bonds1

About 1-(2-bromo-3-chlorophenyl)-3-methylpyrrole-2,5-dione

1-(2-bromo-3-chlorophenyl)-3-methylpyrrole-2,5-dione (PubChem CID 103480245) has the molecular formula C11H7BrClNO2 and a molecular weight of 300.54 g/mol. Its IUPAC name is 1-(2-bromo-3-chlorophenyl)-3-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-bromo-3-chlorophenyl)-3-methylpyrrole-2,5-dione
PubChem CID103480245
Molecular FormulaC11H7BrClNO2
Molecular Weight300.54 g/mol
Exact Mass298.93
IUPAC Name1-(2-bromo-3-chlorophenyl)-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(c2cccc(Cl)c2Br)C1=O
InChIInChI=1S/C11H7BrClNO2/c1-6-5-9(15)14(11(6)16)8-4-2-3-7(13)10(8)12/h2-5H,1H3
InChIKeyXHOLHIBJUNDHSL-UHFFFAOYSA-N
XLogP2.92
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.54
LogP ≤ 52.92
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

1-(2-bromo-3-chlorophenyl)imidazolidine-2,4,5-trione
CID 103481044
1-(2-bromo-5-methylphenyl)-3-methylpyrrole-2,5-dione
CID 82756585
1-(2-chlorophenyl)-3-(4-methylphenyl)pyrrole-2,5-dione
CID 15543976
3-methyl-1-(2-methylquinolin-8-yl)pyrrole-2,5-dione
CID 62952760
2-(3-methyl-2,5-dioxopyrrol-1-yl)benzonitrile
CID 43236196
1-[4-(2,5-dioxopyrrol-1-yl)naphthalen-1-yl]-3-methylpyrrole-2,5-dione
CID 69214872
1-(4-bromo-2-fluorophenyl)-3-methylpyrrole-2,5-dione
CID 43236226
3-methyl-1-(2-propylphenyl)pyrrole-2,5-dione
CID 60975787
1-(2-bromo-3-chlorophenyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 103482058
1-(2-bromo-3-chlorophenyl)pyrrolidine-2,3-dione
CID 103479649
1-(3-fluoro-4-pyridinyl)-3-methylpyrrole-2,5-dione
CID 107595185
3-(4-chlorophenyl)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione
CID 67046692

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-chlorophenyl)-3-methylpyrrole-2,5-dione?
The IUPAC name of 1-(2-bromo-3-chlorophenyl)-3-methylpyrrole-2,5-dione (CID 103480245) is 1-(2-bromo-3-chlorophenyl)-3-methylpyrrole-2,5-dione.
What is the SMILES notation for 1-(2-bromo-3-chlorophenyl)-3-methylpyrrole-2,5-dione?
The canonical SMILES for 1-(2-bromo-3-chlorophenyl)-3-methylpyrrole-2,5-dione is CC1=CC(=O)N(c2cccc(Cl)c2Br)C1=O.
What is the InChIKey of 1-(2-bromo-3-chlorophenyl)-3-methylpyrrole-2,5-dione?
The InChIKey is XHOLHIBJUNDHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClNO2/c1-6-5-9(15)14(11(6)16)8-4-2-3-7(13)10(8)12/h2-5H,1H3.
What are the key properties of 1-(2-bromo-3-chlorophenyl)-3-methylpyrrole-2,5-dione?
1-(2-bromo-3-chlorophenyl)-3-methylpyrrole-2,5-dione has a molecular weight of 300.54 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-chlorophenyl)-3-methylpyrrole-2,5-dione is sourced from PubChem (CID 103480245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).