4-amino-2-(3-amino-4-fluorophenyl)isoindole-1,3-dione

C14H10FN3O2 — CID 139787302

IUPAC4-amino-2-(3-amino-4-fluorophenyl)isoindole-1,3-dione
SMILESNc1cc(N2C(=O)c3cccc(N)c3C2=O)ccc1F
InChIInChI=1S/C14H10FN3O2/c15-9-5-4-7(6-11(9)17)18-13(19)8-2-1-3-10(16)12(8)14(18)20/h1-6H,16-17H2
InChIKeyYRRMEJLWARQFJW-UHFFFAOYSA-N
MW271.25 g/mol
LogP1.79
Rot. Bonds1

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

4-amino-2-(3-amino-4-fluorophenyl)isoindole-1,3-dione (PubChem CID 139787302) has the molecular formula C14H10FN3O2 and a molecular weight of 271.25 g/mol. Its IUPAC name is 4-amino-2-(3-amino-4-fluorophenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-amino-2-(3-amino-4-fluorophenyl)isoindole-1,3-dione
PubChem CID139787302
Molecular FormulaC14H10FN3O2
Molecular Weight271.25 g/mol
Exact Mass271.08
IUPAC Name4-amino-2-(3-amino-4-fluorophenyl)isoindole-1,3-dione
SMILESNc1cc(N2C(=O)c3cccc(N)c3C2=O)ccc1F
InChIInChI=1S/C14H10FN3O2/c15-9-5-4-7(6-11(9)17)18-13(19)8-2-1-3-10(16)12(8)14(18)20/h1-6H,16-17H2
InChIKeyYRRMEJLWARQFJW-UHFFFAOYSA-N
XLogP1.79
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-(2,5-difluorophenyl)isoindole-1,3-dione
CID 28773083
4-amino-2-(2,4,5-trifluorophenyl)isoindole-1,3-dione
CID 62816614
4-amino-2-(4-iodophenyl)isoindole-1,3-dione
CID 28976688
4-amino-2-(4-bromo-3-methylphenyl)isoindole-1,3-dione
CID 23825763
2-(3-chlorophenyl)-4-fluoroisoindole-1,3-dione
CID 18524298
4-amino-2-(4-methoxyphenyl)isoindole-1,3-dione
CID 3092594
4-amino-2-(2-chloro-4,6-difluorophenyl)isoindole-1,3-dione
CID 83073246
4-amino-2-dibenzofuran-2-ylisoindole-1,3-dione
CID 3093304
4-amino-2-pyrimidin-5-ylisoindole-1,3-dione
CID 107588970
[3-(4-amino-1,3-dioxoisoindol-2-yl)phenyl] acetate
CID 703427
2-(3-amino-4-fluorophenyl)-5-[2-[2-(3-amino-4-fluorophenyl)-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione
CID 139771855
2-fluoro-5-pyrrol-1-ylaniline
CID 47003085

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3-amino-4-fluorophenyl)isoindole-1,3-dione?
The IUPAC name of 4-amino-2-(3-amino-4-fluorophenyl)isoindole-1,3-dione (CID 139787302) is 4-amino-2-(3-amino-4-fluorophenyl)isoindole-1,3-dione.
What is the SMILES notation for 4-amino-2-(3-amino-4-fluorophenyl)isoindole-1,3-dione?
The canonical SMILES for 4-amino-2-(3-amino-4-fluorophenyl)isoindole-1,3-dione is Nc1cc(N2C(=O)c3cccc(N)c3C2=O)ccc1F.
What is the InChIKey of 4-amino-2-(3-amino-4-fluorophenyl)isoindole-1,3-dione?
The InChIKey is YRRMEJLWARQFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2/c15-9-5-4-7(6-11(9)17)18-13(19)8-2-1-3-10(16)12(8)14(18)20/h1-6H,16-17H2.
What are the key properties of 4-amino-2-(3-amino-4-fluorophenyl)isoindole-1,3-dione?
4-amino-2-(3-amino-4-fluorophenyl)isoindole-1,3-dione has a molecular weight of 271.25 g/mol, XLogP of 1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3-amino-4-fluorophenyl)isoindole-1,3-dione is sourced from PubChem (CID 139787302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).