2-[2-fluoro-4-oxo-1-(1-phenylethyl)azetidin-3-yl]isoindole-1,3-dione

C19H15FN2O3 — CID 70380822

IUPAC2-[2-fluoro-4-oxo-1-(1-phenylethyl)azetidin-3-yl]isoindole-1,3-dione
SMILESCC(c1ccccc1)N1C(=O)C(N2C(=O)c3ccccc3C2=O)C1F
InChIInChI=1S/C19H15FN2O3/c1-11(12-7-3-2-4-8-12)21-16(20)15(19(21)25)22-17(23)13-9-5-6-10-14(13)18(22)24/h2-11,15-16H,1H3
InChIKeyZPVCNOYZLKCPAZ-UHFFFAOYSA-N
MW338.34 g/mol
LogP2.55
Rot. Bonds3

About 2-[2-fluoro-4-oxo-1-(1-phenylethyl)azetidin-3-yl]isoindole-1,3-dione

2-[2-fluoro-4-oxo-1-(1-phenylethyl)azetidin-3-yl]isoindole-1,3-dione (PubChem CID 70380822) has the molecular formula C19H15FN2O3 and a molecular weight of 338.34 g/mol. Its IUPAC name is 2-[2-fluoro-4-oxo-1-(1-phenylethyl)azetidin-3-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-fluoro-4-oxo-1-(1-phenylethyl)azetidin-3-yl]isoindole-1,3-dione
PubChem CID70380822
Molecular FormulaC19H15FN2O3
Molecular Weight338.34 g/mol
Exact Mass338.11
IUPAC Name2-[2-fluoro-4-oxo-1-(1-phenylethyl)azetidin-3-yl]isoindole-1,3-dione
SMILESCC(c1ccccc1)N1C(=O)C(N2C(=O)c3ccccc3C2=O)C1F
InChIInChI=1S/C19H15FN2O3/c1-11(12-7-3-2-4-8-12)21-16(20)15(19(21)25)22-17(23)13-9-5-6-10-14(13)18(22)24/h2-11,15-16H,1H3
InChIKeyZPVCNOYZLKCPAZ-UHFFFAOYSA-N
XLogP2.55
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-oxo-1-(1-phenylethyl)azetidin-3-yl]isoindole-1,3-dione?
The IUPAC name of 2-[2-fluoro-4-oxo-1-(1-phenylethyl)azetidin-3-yl]isoindole-1,3-dione (CID 70380822) is 2-[2-fluoro-4-oxo-1-(1-phenylethyl)azetidin-3-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-fluoro-4-oxo-1-(1-phenylethyl)azetidin-3-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-fluoro-4-oxo-1-(1-phenylethyl)azetidin-3-yl]isoindole-1,3-dione is CC(c1ccccc1)N1C(=O)C(N2C(=O)c3ccccc3C2=O)C1F.
What is the InChIKey of 2-[2-fluoro-4-oxo-1-(1-phenylethyl)azetidin-3-yl]isoindole-1,3-dione?
The InChIKey is ZPVCNOYZLKCPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O3/c1-11(12-7-3-2-4-8-12)21-16(20)15(19(21)25)22-17(23)13-9-5-6-10-14(13)18(22)24/h2-11,15-16H,1H3.
What are the key properties of 2-[2-fluoro-4-oxo-1-(1-phenylethyl)azetidin-3-yl]isoindole-1,3-dione?
2-[2-fluoro-4-oxo-1-(1-phenylethyl)azetidin-3-yl]isoindole-1,3-dione has a molecular weight of 338.34 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-oxo-1-(1-phenylethyl)azetidin-3-yl]isoindole-1,3-dione is sourced from PubChem (CID 70380822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).