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

C23H18ClNO5 — CID 2942982

IUPAC4-(1,3-benzodioxol-5-yl)-1-(3-chlorophenyl)-3-(4-methoxyphenoxy)azetidin-2-one
SMILESCOc1ccc(OC2C(=O)N(c3cccc(Cl)c3)C2c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C23H18ClNO5/c1-27-17-6-8-18(9-7-17)30-22-21(14-5-10-19-20(11-14)29-13-28-19)25(23(22)26)16-4-2-3-15(24)12-16/h2-12,21-22H,13H2,1H3
InChIKeyOLSOTXRMIHDESU-UHFFFAOYSA-N
MW423.85 g/mol
LogP4.61
Rot. Bonds5

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

4-(1,3-benzodioxol-5-yl)-1-(3-chlorophenyl)-3-(4-methoxyphenoxy)azetidin-2-one (PubChem CID 2942982) has the molecular formula C23H18ClNO5 and a molecular weight of 423.85 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yl)-1-(3-chlorophenyl)-3-(4-methoxyphenoxy)azetidin-2-one.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yl)-1-(3-chlorophenyl)-3-(4-methoxyphenoxy)azetidin-2-one
PubChem CID2942982
Molecular FormulaC23H18ClNO5
Molecular Weight423.85 g/mol
Exact Mass423.09
IUPAC Name4-(1,3-benzodioxol-5-yl)-1-(3-chlorophenyl)-3-(4-methoxyphenoxy)azetidin-2-one
SMILESCOc1ccc(OC2C(=O)N(c3cccc(Cl)c3)C2c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C23H18ClNO5/c1-27-17-6-8-18(9-7-17)30-22-21(14-5-10-19-20(11-14)29-13-28-19)25(23(22)26)16-4-2-3-15(24)12-16/h2-12,21-22H,13H2,1H3
InChIKeyOLSOTXRMIHDESU-UHFFFAOYSA-N
XLogP4.61
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.85
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,3-benzodioxol-5-yl)-1-(3-chlorophenyl)-3-phenoxyazetidin-2-one
CID 621192
4-(1,3-benzodioxol-5-yl)-1-cyclopentyl-3-(4-methoxyphenoxy)azetidin-2-one
CID 4916209
(3S,4R)-4-(1,3-benzodioxol-5-yl)-3-(4-chloro-2-methylphenoxy)-1-(4-fluorophenyl)azetidin-2-one
CID 1046176
(3S,4R)-4-(1,3-benzodioxol-5-yl)-3-(2-methylphenoxy)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one
CID 1046154
4-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenoxy)-1-(oxolan-2-ylmethyl)azetidin-2-one
CID 4915862
4-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-3-phenoxyazetidin-2-one
CID 135013406
(3S,4R)-4-(1,3-benzodioxol-5-yl)-1-(2,2-dimethylhydrazinyl)-3-phenoxyazetidin-2-one
CID 102056068
(3R,4S)-3-(4-hydroxyphenoxy)-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 102273363
(3S,4R)-3-(4-hydroxyphenoxy)-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 102273364
3-amino-4-(1,3-benzodioxol-5-yl)-1-(3-fluorophenyl)azetidin-2-one
CID 102536977
(3S,4R)-4-(3-hydroxy-4-methoxyphenyl)-1-(4-methoxyphenyl)-3-phenoxyazetidin-2-one
CID 127025522
(3R,4R)-3-amino-1,4-bis(1,3-benzodioxol-5-yl)azetidin-2-one
CID 124503701

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yl)-1-(3-chlorophenyl)-3-(4-methoxyphenoxy)azetidin-2-one?
The IUPAC name of 4-(1,3-benzodioxol-5-yl)-1-(3-chlorophenyl)-3-(4-methoxyphenoxy)azetidin-2-one (CID 2942982) is 4-(1,3-benzodioxol-5-yl)-1-(3-chlorophenyl)-3-(4-methoxyphenoxy)azetidin-2-one.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yl)-1-(3-chlorophenyl)-3-(4-methoxyphenoxy)azetidin-2-one?
The canonical SMILES for 4-(1,3-benzodioxol-5-yl)-1-(3-chlorophenyl)-3-(4-methoxyphenoxy)azetidin-2-one is COc1ccc(OC2C(=O)N(c3cccc(Cl)c3)C2c2ccc3c(c2)OCO3)cc1.
What is the InChIKey of 4-(1,3-benzodioxol-5-yl)-1-(3-chlorophenyl)-3-(4-methoxyphenoxy)azetidin-2-one?
The InChIKey is OLSOTXRMIHDESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClNO5/c1-27-17-6-8-18(9-7-17)30-22-21(14-5-10-19-20(11-14)29-13-28-19)25(23(22)26)16-4-2-3-15(24)12-16/h2-12,21-22H,13H2,1H3.
What are the key properties of 4-(1,3-benzodioxol-5-yl)-1-(3-chlorophenyl)-3-(4-methoxyphenoxy)azetidin-2-one?
4-(1,3-benzodioxol-5-yl)-1-(3-chlorophenyl)-3-(4-methoxyphenoxy)azetidin-2-one has a molecular weight of 423.85 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-yl)-1-(3-chlorophenyl)-3-(4-methoxyphenoxy)azetidin-2-one is sourced from PubChem (CID 2942982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).