2-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]isoindole-1,3-dione

C21H16FNO3 — CID 2964469

IUPAC2-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCC(c1ccc(F)cc1)c1ccco1
InChIInChI=1S/C21H16FNO3/c22-15-9-7-14(8-10-15)16(19-6-3-13-26-19)11-12-23-20(24)17-4-1-2-5-18(17)21(23)25/h1-10,13,16H,11-12H2
InChIKeyZCUIAOVCAOGBLQ-UHFFFAOYSA-N
MW349.36 g/mol
LogP4.24
Rot. Bonds5

About 2-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]isoindole-1,3-dione

2-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]isoindole-1,3-dione (PubChem CID 2964469) has the molecular formula C21H16FNO3 and a molecular weight of 349.36 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]isoindole-1,3-dione
PubChem CID2964469
Molecular FormulaC21H16FNO3
Molecular Weight349.36 g/mol
Exact Mass349.11
IUPAC Name2-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCC(c1ccc(F)cc1)c1ccco1
InChIInChI=1S/C21H16FNO3/c22-15-9-7-14(8-10-15)16(19-6-3-13-26-19)11-12-23-20(24)17-4-1-2-5-18(17)21(23)25/h1-10,13,16H,11-12H2
InChIKeyZCUIAOVCAOGBLQ-UHFFFAOYSA-N
XLogP4.24
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]isoindole-1,3-dione (CID 2964469) is 2-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCC(c1ccc(F)cc1)c1ccco1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]isoindole-1,3-dione?
The InChIKey is ZCUIAOVCAOGBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FNO3/c22-15-9-7-14(8-10-15)16(19-6-3-13-26-19)11-12-23-20(24)17-4-1-2-5-18(17)21(23)25/h1-10,13,16H,11-12H2.
What are the key properties of 2-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]isoindole-1,3-dione?
2-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]isoindole-1,3-dione has a molecular weight of 349.36 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]isoindole-1,3-dione is sourced from PubChem (CID 2964469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).