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

C20H17FN2O3 — CID 13244790

IUPAC2-[2-(fluoromethyl)-4-oxo-1-(1-phenylethyl)azetidin-3-yl]isoindole-1,3-dione
SMILESCC(c1ccccc1)N1C(=O)C(N2C(=O)c3ccccc3C2=O)C1CF
InChIInChI=1S/C20H17FN2O3/c1-12(13-7-3-2-4-8-13)22-16(11-21)17(20(22)26)23-18(24)14-9-5-6-10-15(14)19(23)25/h2-10,12,16-17H,11H2,1H3
InChIKeyBGJNSWHWQJBKLL-UHFFFAOYSA-N
MW352.37 g/mol
LogP2.59
Rot. Bonds4

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

2-[2-(fluoromethyl)-4-oxo-1-(1-phenylethyl)azetidin-3-yl]isoindole-1,3-dione (PubChem CID 13244790) has the molecular formula C20H17FN2O3 and a molecular weight of 352.37 g/mol. Its IUPAC name is 2-[2-(fluoromethyl)-4-oxo-1-(1-phenylethyl)azetidin-3-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(fluoromethyl)-4-oxo-1-(1-phenylethyl)azetidin-3-yl]isoindole-1,3-dione
PubChem CID13244790
Molecular FormulaC20H17FN2O3
Molecular Weight352.37 g/mol
Exact Mass352.12
IUPAC Name2-[2-(fluoromethyl)-4-oxo-1-(1-phenylethyl)azetidin-3-yl]isoindole-1,3-dione
SMILESCC(c1ccccc1)N1C(=O)C(N2C(=O)c3ccccc3C2=O)C1CF
InChIInChI=1S/C20H17FN2O3/c1-12(13-7-3-2-4-8-13)22-16(11-21)17(20(22)26)23-18(24)14-9-5-6-10-15(14)19(23)25/h2-10,12,16-17H,11H2,1H3
InChIKeyBGJNSWHWQJBKLL-UHFFFAOYSA-N
XLogP2.59
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.59
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-[2-(fluoromethyl)-4-oxo-1-(1-phenylethyl)azetidin-3-yl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(fluoromethyl)-4-oxo-1-(1-phenylethyl)azetidin-3-yl]isoindole-1,3-dione (CID 13244790) is 2-[2-(fluoromethyl)-4-oxo-1-(1-phenylethyl)azetidin-3-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(fluoromethyl)-4-oxo-1-(1-phenylethyl)azetidin-3-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(fluoromethyl)-4-oxo-1-(1-phenylethyl)azetidin-3-yl]isoindole-1,3-dione is CC(c1ccccc1)N1C(=O)C(N2C(=O)c3ccccc3C2=O)C1CF.
What is the InChIKey of 2-[2-(fluoromethyl)-4-oxo-1-(1-phenylethyl)azetidin-3-yl]isoindole-1,3-dione?
The InChIKey is BGJNSWHWQJBKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3/c1-12(13-7-3-2-4-8-13)22-16(11-21)17(20(22)26)23-18(24)14-9-5-6-10-15(14)19(23)25/h2-10,12,16-17H,11H2,1H3.
What are the key properties of 2-[2-(fluoromethyl)-4-oxo-1-(1-phenylethyl)azetidin-3-yl]isoindole-1,3-dione?
2-[2-(fluoromethyl)-4-oxo-1-(1-phenylethyl)azetidin-3-yl]isoindole-1,3-dione has a molecular weight of 352.37 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(fluoromethyl)-4-oxo-1-(1-phenylethyl)azetidin-3-yl]isoindole-1,3-dione is sourced from PubChem (CID 13244790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).