5-bromo-2-[2-(furan-2-yl)-2-oxoethyl]isoindole-1,3-dione

C14H8BrNO4 — CID 106674815

IUPAC5-bromo-2-[2-(furan-2-yl)-2-oxoethyl]isoindole-1,3-dione
SMILESO=C(CN1C(=O)c2ccc(Br)cc2C1=O)c1ccco1
InChIInChI=1S/C14H8BrNO4/c15-8-3-4-9-10(6-8)14(19)16(13(9)18)7-11(17)12-2-1-5-20-12/h1-6H,7H2
InChIKeyTYMUDGDKJMPJEH-UHFFFAOYSA-N
MW334.13 g/mol
LogP2.52
Rot. Bonds3

About 5-bromo-2-[2-(furan-2-yl)-2-oxoethyl]isoindole-1,3-dione

5-bromo-2-[2-(furan-2-yl)-2-oxoethyl]isoindole-1,3-dione (PubChem CID 106674815) has the molecular formula C14H8BrNO4 and a molecular weight of 334.13 g/mol. Its IUPAC name is 5-bromo-2-[2-(furan-2-yl)-2-oxoethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name5-bromo-2-[2-(furan-2-yl)-2-oxoethyl]isoindole-1,3-dione
PubChem CID106674815
Molecular FormulaC14H8BrNO4
Molecular Weight334.13 g/mol
Exact Mass332.96
IUPAC Name5-bromo-2-[2-(furan-2-yl)-2-oxoethyl]isoindole-1,3-dione
SMILESO=C(CN1C(=O)c2ccc(Br)cc2C1=O)c1ccco1
InChIInChI=1S/C14H8BrNO4/c15-8-3-4-9-10(6-8)14(19)16(13(9)18)7-11(17)12-2-1-5-20-12/h1-6H,7H2
InChIKeyTYMUDGDKJMPJEH-UHFFFAOYSA-N
XLogP2.52
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.13
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-bromo-2-[2-(furan-2-yl)-2-oxoethyl]isoindole-1,3-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

7-bromo-1-[2-(furan-2-yl)-2-oxoethyl]indole-2,3-dione
CID 62024581
5-bromo-2-(2-oxopropyl)isoindole-1,3-dione
CID 71186577
sodium 2-(5-bromo-1,3-dioxoisoindol-2-yl)acetate
CID 19205606
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide
CID 30426466
ethyl 2-(5-bromo-1,3-dioxoisoindol-2-yl)acetate
CID 698673
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-tert-butylacetamide
CID 86978677
2-(4-bromo-2-fluorophenyl)-1-(furan-2-yl)ethanone
CID 62716973
1-[2-(furan-2-yl)-2-oxoethyl]-5-methoxyindole-2,3-dione
CID 62023854
N-benzyl-3-(5-bromo-1,3-dioxoisoindol-2-yl)propanamide
CID 30426434
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 30425605
3-(5-bromo-1,3-dioxoisoindol-2-yl)-2-hydroxy-2-methylpropanoic acid
CID 66171633
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
CID 27539267

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-(furan-2-yl)-2-oxoethyl]isoindole-1,3-dione?
The IUPAC name of 5-bromo-2-[2-(furan-2-yl)-2-oxoethyl]isoindole-1,3-dione (CID 106674815) is 5-bromo-2-[2-(furan-2-yl)-2-oxoethyl]isoindole-1,3-dione.
What is the SMILES notation for 5-bromo-2-[2-(furan-2-yl)-2-oxoethyl]isoindole-1,3-dione?
The canonical SMILES for 5-bromo-2-[2-(furan-2-yl)-2-oxoethyl]isoindole-1,3-dione is O=C(CN1C(=O)c2ccc(Br)cc2C1=O)c1ccco1.
What is the InChIKey of 5-bromo-2-[2-(furan-2-yl)-2-oxoethyl]isoindole-1,3-dione?
The InChIKey is TYMUDGDKJMPJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrNO4/c15-8-3-4-9-10(6-8)14(19)16(13(9)18)7-11(17)12-2-1-5-20-12/h1-6H,7H2.
What are the key properties of 5-bromo-2-[2-(furan-2-yl)-2-oxoethyl]isoindole-1,3-dione?
5-bromo-2-[2-(furan-2-yl)-2-oxoethyl]isoindole-1,3-dione has a molecular weight of 334.13 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[2-(furan-2-yl)-2-oxoethyl]isoindole-1,3-dione is sourced from PubChem (CID 106674815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).