4-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-3-(4-methoxyphenoxy)azetidin-2-one

C24H22FNO5 — CID 2942919

IUPAC4-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-3-(4-methoxyphenoxy)azetidin-2-one
SMILESCOc1ccc(OC2C(=O)N(c3ccc(F)cc3)C2c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C24H22FNO5/c1-28-18-9-11-19(12-10-18)31-23-22(15-4-13-20(29-2)21(14-15)30-3)26(24(23)27)17-7-5-16(25)6-8-17/h4-14,22-23H,1-3H3
InChIKeyAXOIHXKCXIFERC-UHFFFAOYSA-N
MW423.44 g/mol
LogP4.39
Rot. Bonds7

About 4-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-3-(4-methoxyphenoxy)azetidin-2-one

4-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-3-(4-methoxyphenoxy)azetidin-2-one (PubChem CID 2942919) has the molecular formula C24H22FNO5 and a molecular weight of 423.44 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-3-(4-methoxyphenoxy)azetidin-2-one.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-3-(4-methoxyphenoxy)azetidin-2-one
PubChem CID2942919
Molecular FormulaC24H22FNO5
Molecular Weight423.44 g/mol
Exact Mass423.15
IUPAC Name4-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-3-(4-methoxyphenoxy)azetidin-2-one
SMILESCOc1ccc(OC2C(=O)N(c3ccc(F)cc3)C2c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C24H22FNO5/c1-28-18-9-11-19(12-10-18)31-23-22(15-4-13-20(29-2)21(14-15)30-3)26(24(23)27)17-7-5-16(25)6-8-17/h4-14,22-23H,1-3H3
InChIKeyAXOIHXKCXIFERC-UHFFFAOYSA-N
XLogP4.39
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-3-(4-methoxyphenoxy)azetidin-2-one?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-3-(4-methoxyphenoxy)azetidin-2-one (CID 2942919) is 4-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-3-(4-methoxyphenoxy)azetidin-2-one.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-3-(4-methoxyphenoxy)azetidin-2-one?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-3-(4-methoxyphenoxy)azetidin-2-one is COc1ccc(OC2C(=O)N(c3ccc(F)cc3)C2c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-3-(4-methoxyphenoxy)azetidin-2-one?
The InChIKey is AXOIHXKCXIFERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FNO5/c1-28-18-9-11-19(12-10-18)31-23-22(15-4-13-20(29-2)21(14-15)30-3)26(24(23)27)17-7-5-16(25)6-8-17/h4-14,22-23H,1-3H3.
What are the key properties of 4-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-3-(4-methoxyphenoxy)azetidin-2-one?
4-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-3-(4-methoxyphenoxy)azetidin-2-one has a molecular weight of 423.44 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-3-(4-methoxyphenoxy)azetidin-2-one is sourced from PubChem (CID 2942919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).