4-amino-2-(2,5-difluorophenyl)isoindole-1,3-dione

C14H8F2N2O2 — CID 28773083

IUPAC4-amino-2-(2,5-difluorophenyl)isoindole-1,3-dione
SMILESNc1cccc2c1C(=O)N(c1cc(F)ccc1F)C2=O
InChIInChI=1S/C14H8F2N2O2/c15-7-4-5-9(16)11(6-7)18-13(19)8-2-1-3-10(17)12(8)14(18)20/h1-6H,17H2
InChIKeyGUCHJZPUDXALOI-UHFFFAOYSA-N
MW274.23 g/mol
LogP2.35
Rot. Bonds1

About 4-amino-2-(2,5-difluorophenyl)isoindole-1,3-dione

4-amino-2-(2,5-difluorophenyl)isoindole-1,3-dione (PubChem CID 28773083) has the molecular formula C14H8F2N2O2 and a molecular weight of 274.23 g/mol. Its IUPAC name is 4-amino-2-(2,5-difluorophenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-amino-2-(2,5-difluorophenyl)isoindole-1,3-dione
PubChem CID28773083
Molecular FormulaC14H8F2N2O2
Molecular Weight274.23 g/mol
Exact Mass274.06
IUPAC Name4-amino-2-(2,5-difluorophenyl)isoindole-1,3-dione
SMILESNc1cccc2c1C(=O)N(c1cc(F)ccc1F)C2=O
InChIInChI=1S/C14H8F2N2O2/c15-7-4-5-9(16)11(6-7)18-13(19)8-2-1-3-10(17)12(8)14(18)20/h1-6H,17H2
InChIKeyGUCHJZPUDXALOI-UHFFFAOYSA-N
XLogP2.35
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-2-(2,5-difluorophenyl)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

4-amino-2-(2,4,5-trifluorophenyl)isoindole-1,3-dione
CID 62816614
4-amino-2-(3-amino-4-fluorophenyl)isoindole-1,3-dione
CID 139787302
4-amino-2-(2-chloro-4,6-difluorophenyl)isoindole-1,3-dione
CID 83073246
4-amino-2-[(4-fluoro-2-methylphenyl)methyl]isoindole-1,3-dione
CID 62135589
4-amino-2-(2-methylsulfanylphenyl)isoindole-1,3-dione
CID 86189271
4-amino-2-(2,4-dimethylphenyl)isoindole-1,3-dione
CID 4219186
4-amino-2-(5-amino-2-hydroxyphenyl)isoindole-1,3-dione
CID 139787348
4-amino-2-(4-amino-2-methoxyphenyl)isoindole-1,3-dione
CID 139787318
5-amino-2-(4-amino-1,3-dioxoisoindol-2-yl)benzamide
CID 139787327
4-amino-2-(4-iodophenyl)isoindole-1,3-dione
CID 28976688
4-amino-2-pyrimidin-5-ylisoindole-1,3-dione
CID 107588970
4-amino-2-(2,6-diethylphenyl)isoindole-1,3-dione
CID 70493572

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2,5-difluorophenyl)isoindole-1,3-dione?
The IUPAC name of 4-amino-2-(2,5-difluorophenyl)isoindole-1,3-dione (CID 28773083) is 4-amino-2-(2,5-difluorophenyl)isoindole-1,3-dione.
What is the SMILES notation for 4-amino-2-(2,5-difluorophenyl)isoindole-1,3-dione?
The canonical SMILES for 4-amino-2-(2,5-difluorophenyl)isoindole-1,3-dione is Nc1cccc2c1C(=O)N(c1cc(F)ccc1F)C2=O.
What is the InChIKey of 4-amino-2-(2,5-difluorophenyl)isoindole-1,3-dione?
The InChIKey is GUCHJZPUDXALOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2N2O2/c15-7-4-5-9(16)11(6-7)18-13(19)8-2-1-3-10(17)12(8)14(18)20/h1-6H,17H2.
What are the key properties of 4-amino-2-(2,5-difluorophenyl)isoindole-1,3-dione?
4-amino-2-(2,5-difluorophenyl)isoindole-1,3-dione has a molecular weight of 274.23 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2,5-difluorophenyl)isoindole-1,3-dione is sourced from PubChem (CID 28773083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).