2-(4-fluorobenzoyl)isoindole-1,3-dione

C15H8FNO3 — CID 3643646

IUPAC2-(4-fluorobenzoyl)isoindole-1,3-dione
SMILESO=C(c1ccc(F)cc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H8FNO3/c16-10-7-5-9(6-8-10)13(18)17-14(19)11-3-1-2-4-12(11)15(17)20/h1-8H
InChIKeyLKBDVJOKAYASRZ-UHFFFAOYSA-N
MW269.23 g/mol
LogP2.26
Rot. Bonds1

About 2-(4-fluorobenzoyl)isoindole-1,3-dione

2-(4-fluorobenzoyl)isoindole-1,3-dione (PubChem CID 3643646) has the molecular formula C15H8FNO3 and a molecular weight of 269.23 g/mol. Its IUPAC name is 2-(4-fluorobenzoyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(4-fluorobenzoyl)isoindole-1,3-dione
PubChem CID3643646
Molecular FormulaC15H8FNO3
Molecular Weight269.23 g/mol
Exact Mass269.05
IUPAC Name2-(4-fluorobenzoyl)isoindole-1,3-dione
SMILESO=C(c1ccc(F)cc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H8FNO3/c16-10-7-5-9(6-8-10)13(18)17-14(19)11-3-1-2-4-12(11)15(17)20/h1-8H
InChIKeyLKBDVJOKAYASRZ-UHFFFAOYSA-N
XLogP2.26
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(pyridine-4-carbonyl)isoindole-1,3-dione
CID 156600138
2-[1-(dimethylamino)-3-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]isoindole-1,3-dione
CID 66770701
2-(4-fluorobenzoyl)-3H-isoindol-1-one
CID 24763674
1-(4-fluorobenzoyl)pyrrolidine-2,5-dione
CID 790945
(5,5-dioxophenothiazin-10-yl)-(4-fluorophenyl)methanone
CID 66507232
4-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)benzamide
CID 1068099
2-(4-fluorobenzoyl)indene-1,3-dione
CID 122369754
carbazol-9-yl-(4-fluorophenyl)methanone
CID 8852543
1,3-dihydroisoindol-2-yl-(4-fluorophenyl)methanone
CID 62230828
3-(1,3-dioxoisoindol-2-yl)propyl 4-fluorobenzoate
CID 31981087
[4-(7-azabicyclo[4.1.0]hepta-1,3,5-triene-7-carbonyl)phenyl]-(7-azabicyclo[4.1.0]hepta-1,3,5-trien-7-yl)methanone
CID 70257091
2-[4,4-bis(4-fluorophenyl)but-3-enyl]isoindole-1,3-dione
CID 110168474

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorobenzoyl)isoindole-1,3-dione?
The IUPAC name of 2-(4-fluorobenzoyl)isoindole-1,3-dione (CID 3643646) is 2-(4-fluorobenzoyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(4-fluorobenzoyl)isoindole-1,3-dione?
The canonical SMILES for 2-(4-fluorobenzoyl)isoindole-1,3-dione is O=C(c1ccc(F)cc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(4-fluorobenzoyl)isoindole-1,3-dione?
The InChIKey is LKBDVJOKAYASRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8FNO3/c16-10-7-5-9(6-8-10)13(18)17-14(19)11-3-1-2-4-12(11)15(17)20/h1-8H.
What are the key properties of 2-(4-fluorobenzoyl)isoindole-1,3-dione?
2-(4-fluorobenzoyl)isoindole-1,3-dione has a molecular weight of 269.23 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorobenzoyl)isoindole-1,3-dione is sourced from PubChem (CID 3643646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).