3-(4-chloro-3-fluorophenyl)-4-(4-chlorophenyl)-1-(4-methoxyphenyl)azetidin-2-one

C22H16Cl2FNO2 — CID 58007068

IUPAC3-(4-chloro-3-fluorophenyl)-4-(4-chlorophenyl)-1-(4-methoxyphenyl)azetidin-2-one
SMILESCOc1ccc(N2C(=O)C(c3ccc(Cl)c(F)c3)C2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H16Cl2FNO2/c1-28-17-9-7-16(8-10-17)26-21(13-2-5-15(23)6-3-13)20(22(26)27)14-4-11-18(24)19(25)12-14/h2-12,20-21H,1H3
InChIKeyLFCJDDRHCYLBIW-UHFFFAOYSA-N
MW416.28 g/mol
LogP6.01
Rot. Bonds4

About 3-(4-chloro-3-fluorophenyl)-4-(4-chlorophenyl)-1-(4-methoxyphenyl)azetidin-2-one

3-(4-chloro-3-fluorophenyl)-4-(4-chlorophenyl)-1-(4-methoxyphenyl)azetidin-2-one (PubChem CID 58007068) has the molecular formula C22H16Cl2FNO2 and a molecular weight of 416.28 g/mol. Its IUPAC name is 3-(4-chloro-3-fluorophenyl)-4-(4-chlorophenyl)-1-(4-methoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name3-(4-chloro-3-fluorophenyl)-4-(4-chlorophenyl)-1-(4-methoxyphenyl)azetidin-2-one
PubChem CID58007068
Molecular FormulaC22H16Cl2FNO2
Molecular Weight416.28 g/mol
Exact Mass415.05
IUPAC Name3-(4-chloro-3-fluorophenyl)-4-(4-chlorophenyl)-1-(4-methoxyphenyl)azetidin-2-one
SMILESCOc1ccc(N2C(=O)C(c3ccc(Cl)c(F)c3)C2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H16Cl2FNO2/c1-28-17-9-7-16(8-10-17)26-21(13-2-5-15(23)6-3-13)20(22(26)27)14-4-11-18(24)19(25)12-14/h2-12,20-21H,1H3
InChIKeyLFCJDDRHCYLBIW-UHFFFAOYSA-N
XLogP6.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.28
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-fluorophenyl)-4-(4-chlorophenyl)-1-(4-methoxyphenyl)azetidin-2-one?
The IUPAC name of 3-(4-chloro-3-fluorophenyl)-4-(4-chlorophenyl)-1-(4-methoxyphenyl)azetidin-2-one (CID 58007068) is 3-(4-chloro-3-fluorophenyl)-4-(4-chlorophenyl)-1-(4-methoxyphenyl)azetidin-2-one.
What is the SMILES notation for 3-(4-chloro-3-fluorophenyl)-4-(4-chlorophenyl)-1-(4-methoxyphenyl)azetidin-2-one?
The canonical SMILES for 3-(4-chloro-3-fluorophenyl)-4-(4-chlorophenyl)-1-(4-methoxyphenyl)azetidin-2-one is COc1ccc(N2C(=O)C(c3ccc(Cl)c(F)c3)C2c2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-(4-chloro-3-fluorophenyl)-4-(4-chlorophenyl)-1-(4-methoxyphenyl)azetidin-2-one?
The InChIKey is LFCJDDRHCYLBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2FNO2/c1-28-17-9-7-16(8-10-17)26-21(13-2-5-15(23)6-3-13)20(22(26)27)14-4-11-18(24)19(25)12-14/h2-12,20-21H,1H3.
What are the key properties of 3-(4-chloro-3-fluorophenyl)-4-(4-chlorophenyl)-1-(4-methoxyphenyl)azetidin-2-one?
3-(4-chloro-3-fluorophenyl)-4-(4-chlorophenyl)-1-(4-methoxyphenyl)azetidin-2-one has a molecular weight of 416.28 g/mol, XLogP of 6.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-fluorophenyl)-4-(4-chlorophenyl)-1-(4-methoxyphenyl)azetidin-2-one is sourced from PubChem (CID 58007068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).