[1-(4-fluorophenyl)-4-oxo-3-(3-phenylpropyl)azetidin-2-yl] 2-phenylacetate

C26H24FNO3 — CID 67717117

IUPAC[1-(4-fluorophenyl)-4-oxo-3-(3-phenylpropyl)azetidin-2-yl] 2-phenylacetate
SMILESO=C(Cc1ccccc1)OC1C(CCCc2ccccc2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C26H24FNO3/c27-21-14-16-22(17-15-21)28-25(30)23(13-7-12-19-8-3-1-4-9-19)26(28)31-24(29)18-20-10-5-2-6-11-20/h1-6,8-11,14-17,23,26H,7,12-13,18H2
InChIKeyVIPZRXFSEOLWQT-UHFFFAOYSA-N
MW417.48 g/mol
LogP4.92
Rot. Bonds8

About [1-(4-fluorophenyl)-4-oxo-3-(3-phenylpropyl)azetidin-2-yl] 2-phenylacetate

[1-(4-fluorophenyl)-4-oxo-3-(3-phenylpropyl)azetidin-2-yl] 2-phenylacetate (PubChem CID 67717117) has the molecular formula C26H24FNO3 and a molecular weight of 417.48 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-4-oxo-3-(3-phenylpropyl)azetidin-2-yl] 2-phenylacetate.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-4-oxo-3-(3-phenylpropyl)azetidin-2-yl] 2-phenylacetate
PubChem CID67717117
Molecular FormulaC26H24FNO3
Molecular Weight417.48 g/mol
Exact Mass417.17
IUPAC Name[1-(4-fluorophenyl)-4-oxo-3-(3-phenylpropyl)azetidin-2-yl] 2-phenylacetate
SMILESO=C(Cc1ccccc1)OC1C(CCCc2ccccc2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C26H24FNO3/c27-21-14-16-22(17-15-21)28-25(30)23(13-7-12-19-8-3-1-4-9-19)26(28)31-24(29)18-20-10-5-2-6-11-20/h1-6,8-11,14-17,23,26H,7,12-13,18H2
InChIKeyVIPZRXFSEOLWQT-UHFFFAOYSA-N
XLogP4.92
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.48
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-4-oxo-3-(3-phenylpropyl)azetidin-2-yl] 2-phenylacetate?
The IUPAC name of [1-(4-fluorophenyl)-4-oxo-3-(3-phenylpropyl)azetidin-2-yl] 2-phenylacetate (CID 67717117) is [1-(4-fluorophenyl)-4-oxo-3-(3-phenylpropyl)azetidin-2-yl] 2-phenylacetate.
What is the SMILES notation for [1-(4-fluorophenyl)-4-oxo-3-(3-phenylpropyl)azetidin-2-yl] 2-phenylacetate?
The canonical SMILES for [1-(4-fluorophenyl)-4-oxo-3-(3-phenylpropyl)azetidin-2-yl] 2-phenylacetate is O=C(Cc1ccccc1)OC1C(CCCc2ccccc2)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of [1-(4-fluorophenyl)-4-oxo-3-(3-phenylpropyl)azetidin-2-yl] 2-phenylacetate?
The InChIKey is VIPZRXFSEOLWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FNO3/c27-21-14-16-22(17-15-21)28-25(30)23(13-7-12-19-8-3-1-4-9-19)26(28)31-24(29)18-20-10-5-2-6-11-20/h1-6,8-11,14-17,23,26H,7,12-13,18H2.
What are the key properties of [1-(4-fluorophenyl)-4-oxo-3-(3-phenylpropyl)azetidin-2-yl] 2-phenylacetate?
[1-(4-fluorophenyl)-4-oxo-3-(3-phenylpropyl)azetidin-2-yl] 2-phenylacetate has a molecular weight of 417.48 g/mol, XLogP of 4.92, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-4-oxo-3-(3-phenylpropyl)azetidin-2-yl] 2-phenylacetate is sourced from PubChem (CID 67717117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).