4-(1,3-benzodioxol-5-yl)-1-(3-chlorophenyl)-3-phenoxyazetidin-2-one

C22H16ClNO4 — CID 621192

IUPAC4-(1,3-benzodioxol-5-yl)-1-(3-chlorophenyl)-3-phenoxyazetidin-2-one
SMILESO=C1C(Oc2ccccc2)C(c2ccc3c(c2)OCO3)N1c1cccc(Cl)c1
InChIInChI=1S/C22H16ClNO4/c23-15-5-4-6-16(12-15)24-20(14-9-10-18-19(11-14)27-13-26-18)21(22(24)25)28-17-7-2-1-3-8-17/h1-12,20-21H,13H2
InChIKeyUCYKFZZLWMXGLP-UHFFFAOYSA-N
MW393.83 g/mol
LogP4.60
Rot. Bonds4

About 4-(1,3-benzodioxol-5-yl)-1-(3-chlorophenyl)-3-phenoxyazetidin-2-one

4-(1,3-benzodioxol-5-yl)-1-(3-chlorophenyl)-3-phenoxyazetidin-2-one (PubChem CID 621192) has the molecular formula C22H16ClNO4 and a molecular weight of 393.83 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yl)-1-(3-chlorophenyl)-3-phenoxyazetidin-2-one.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yl)-1-(3-chlorophenyl)-3-phenoxyazetidin-2-one
PubChem CID621192
Molecular FormulaC22H16ClNO4
Molecular Weight393.83 g/mol
Exact Mass393.08
IUPAC Name4-(1,3-benzodioxol-5-yl)-1-(3-chlorophenyl)-3-phenoxyazetidin-2-one
SMILESO=C1C(Oc2ccccc2)C(c2ccc3c(c2)OCO3)N1c1cccc(Cl)c1
InChIInChI=1S/C22H16ClNO4/c23-15-5-4-6-16(12-15)24-20(14-9-10-18-19(11-14)27-13-26-18)21(22(24)25)28-17-7-2-1-3-8-17/h1-12,20-21H,13H2
InChIKeyUCYKFZZLWMXGLP-UHFFFAOYSA-N
XLogP4.60
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yl)-1-(3-chlorophenyl)-3-phenoxyazetidin-2-one?
The IUPAC name of 4-(1,3-benzodioxol-5-yl)-1-(3-chlorophenyl)-3-phenoxyazetidin-2-one (CID 621192) is 4-(1,3-benzodioxol-5-yl)-1-(3-chlorophenyl)-3-phenoxyazetidin-2-one.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yl)-1-(3-chlorophenyl)-3-phenoxyazetidin-2-one?
The canonical SMILES for 4-(1,3-benzodioxol-5-yl)-1-(3-chlorophenyl)-3-phenoxyazetidin-2-one is O=C1C(Oc2ccccc2)C(c2ccc3c(c2)OCO3)N1c1cccc(Cl)c1.
What is the InChIKey of 4-(1,3-benzodioxol-5-yl)-1-(3-chlorophenyl)-3-phenoxyazetidin-2-one?
The InChIKey is UCYKFZZLWMXGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClNO4/c23-15-5-4-6-16(12-15)24-20(14-9-10-18-19(11-14)27-13-26-18)21(22(24)25)28-17-7-2-1-3-8-17/h1-12,20-21H,13H2.
What are the key properties of 4-(1,3-benzodioxol-5-yl)-1-(3-chlorophenyl)-3-phenoxyazetidin-2-one?
4-(1,3-benzodioxol-5-yl)-1-(3-chlorophenyl)-3-phenoxyazetidin-2-one has a molecular weight of 393.83 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-yl)-1-(3-chlorophenyl)-3-phenoxyazetidin-2-one is sourced from PubChem (CID 621192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).