2-[[3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione

C20H15FN2O5 — CID 22447471

IUPAC2-[[3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione
SMILESCC(=O)c1ccc(N2CC(CN3C(=O)c4ccccc4C3=O)OC2=O)cc1F
InChIInChI=1S/C20H15FN2O5/c1-11(24)14-7-6-12(8-17(14)21)22-9-13(28-20(22)27)10-23-18(25)15-4-2-3-5-16(15)19(23)26/h2-8,13H,9-10H2,1H3
InChIKeyWHIKSMXUAPUTSQ-UHFFFAOYSA-N
MW382.35 g/mol
LogP2.65
Rot. Bonds4

About 2-[[3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione

2-[[3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione (PubChem CID 22447471) has the molecular formula C20H15FN2O5 and a molecular weight of 382.35 g/mol. Its IUPAC name is 2-[[3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione
PubChem CID22447471
Molecular FormulaC20H15FN2O5
Molecular Weight382.35 g/mol
Exact Mass382.10
IUPAC Name2-[[3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione
SMILESCC(=O)c1ccc(N2CC(CN3C(=O)c4ccccc4C3=O)OC2=O)cc1F
InChIInChI=1S/C20H15FN2O5/c1-11(24)14-7-6-12(8-17(14)21)22-9-13(28-20(22)27)10-23-18(25)15-4-2-3-5-16(15)19(23)26/h2-8,13H,9-10H2,1H3
InChIKeyWHIKSMXUAPUTSQ-UHFFFAOYSA-N
XLogP2.65
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.35
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione (CID 22447471) is 2-[[3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione is CC(=O)c1ccc(N2CC(CN3C(=O)c4ccccc4C3=O)OC2=O)cc1F.
What is the InChIKey of 2-[[3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione?
The InChIKey is WHIKSMXUAPUTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O5/c1-11(24)14-7-6-12(8-17(14)21)22-9-13(28-20(22)27)10-23-18(25)15-4-2-3-5-16(15)19(23)26/h2-8,13H,9-10H2,1H3.
What are the key properties of 2-[[3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione?
2-[[3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione has a molecular weight of 382.35 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 22447471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).