3-(4-bromo-5-fluoro-2-methylphenyl)pyrrole-2,5-dione

C11H7BrFNO2 — CID 106695161

IUPAC3-(4-bromo-5-fluoro-2-methylphenyl)pyrrole-2,5-dione
SMILESCc1cc(Br)c(F)cc1C1=CC(=O)NC1=O
InChIInChI=1S/C11H7BrFNO2/c1-5-2-8(12)9(13)3-6(5)7-4-10(15)14-11(7)16/h2-4H,1H3,(H,14,15,16)
InChIKeyWINRAGQSYWCQRB-UHFFFAOYSA-N
MW284.08 g/mol
LogP1.94
Rot. Bonds1

About 3-(4-bromo-5-fluoro-2-methylphenyl)pyrrole-2,5-dione

3-(4-bromo-5-fluoro-2-methylphenyl)pyrrole-2,5-dione (PubChem CID 106695161) has the molecular formula C11H7BrFNO2 and a molecular weight of 284.08 g/mol. Its IUPAC name is 3-(4-bromo-5-fluoro-2-methylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-bromo-5-fluoro-2-methylphenyl)pyrrole-2,5-dione
PubChem CID106695161
Molecular FormulaC11H7BrFNO2
Molecular Weight284.08 g/mol
Exact Mass282.96
IUPAC Name3-(4-bromo-5-fluoro-2-methylphenyl)pyrrole-2,5-dione
SMILESCc1cc(Br)c(F)cc1C1=CC(=O)NC1=O
InChIInChI=1S/C11H7BrFNO2/c1-5-2-8(12)9(13)3-6(5)7-4-10(15)14-11(7)16/h2-4H,1H3,(H,14,15,16)
InChIKeyWINRAGQSYWCQRB-UHFFFAOYSA-N
XLogP1.94
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.08
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(4-bromo-5-fluoro-2-methylphenyl)pyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-bromophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 19843468
4-Bromo-2-fluoro-6-methylbenzamide
CID 59473773
6-bromo-5-fluoro-3-methyl-2H-isoquinolin-1-one
CID 162410584
(R)-5-bromo-N-(tert-butyl)-2-(1-fluoroethyl)benzamide
CID 172419807
5-bromo-N-tert-butyl-2-(fluoromethyl)benzamide
CID 177853159
Tribromophenylmaleimide
CID 22134112
N-acetyl-3-bromo-2-fluorobenzamide
CID 107951843
5-Bromo-7-fluoro-3,3-dimethylisoindolin-1-one
CID 49758025
3-(4-Bromo-2-fluoro-phenyl)-pyrrole-2,5-dione
CID 67508406
4-Bromo-2-(fluoromethyl)benzamide
CID 91008252
5-Bromo-6-fluoroisoindoline-1,3-dione
CID 118482271
4-Bromo-5-fluoro-2-methylbenzamide
CID 121366312

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-5-fluoro-2-methylphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(4-bromo-5-fluoro-2-methylphenyl)pyrrole-2,5-dione (CID 106695161) is 3-(4-bromo-5-fluoro-2-methylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(4-bromo-5-fluoro-2-methylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(4-bromo-5-fluoro-2-methylphenyl)pyrrole-2,5-dione is Cc1cc(Br)c(F)cc1C1=CC(=O)NC1=O.
What is the InChIKey of 3-(4-bromo-5-fluoro-2-methylphenyl)pyrrole-2,5-dione?
The InChIKey is WINRAGQSYWCQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrFNO2/c1-5-2-8(12)9(13)3-6(5)7-4-10(15)14-11(7)16/h2-4H,1H3,(H,14,15,16).
What are the key properties of 3-(4-bromo-5-fluoro-2-methylphenyl)pyrrole-2,5-dione?
3-(4-bromo-5-fluoro-2-methylphenyl)pyrrole-2,5-dione has a molecular weight of 284.08 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-5-fluoro-2-methylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 106695161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).