1-[(4-fluorophenyl)methyl]-3-phenoxy-4-(3,4,5-trimethoxyphenyl)azetidin-2-one

C25H24FNO5 — CID 5228397

IUPAC1-[(4-fluorophenyl)methyl]-3-phenoxy-4-(3,4,5-trimethoxyphenyl)azetidin-2-one
SMILESCOc1cc(C2C(Oc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc(OC)c1OC
InChIInChI=1S/C25H24FNO5/c1-29-20-13-17(14-21(30-2)23(20)31-3)22-24(32-19-7-5-4-6-8-19)25(28)27(22)15-16-9-11-18(26)12-10-16/h4-14,22,24H,15H2,1-3H3
InChIKeyAKLHWUYLGTXCDY-UHFFFAOYSA-N
MW437.47 g/mol
LogP4.38
Rot. Bonds8

About 1-[(4-fluorophenyl)methyl]-3-phenoxy-4-(3,4,5-trimethoxyphenyl)azetidin-2-one

1-[(4-fluorophenyl)methyl]-3-phenoxy-4-(3,4,5-trimethoxyphenyl)azetidin-2-one (PubChem CID 5228397) has the molecular formula C25H24FNO5 and a molecular weight of 437.47 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-phenoxy-4-(3,4,5-trimethoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-phenoxy-4-(3,4,5-trimethoxyphenyl)azetidin-2-one
PubChem CID5228397
Molecular FormulaC25H24FNO5
Molecular Weight437.47 g/mol
Exact Mass437.16
IUPAC Name1-[(4-fluorophenyl)methyl]-3-phenoxy-4-(3,4,5-trimethoxyphenyl)azetidin-2-one
SMILESCOc1cc(C2C(Oc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc(OC)c1OC
InChIInChI=1S/C25H24FNO5/c1-29-20-13-17(14-21(30-2)23(20)31-3)22-24(32-19-7-5-4-6-8-19)25(28)27(22)15-16-9-11-18(26)12-10-16/h4-14,22,24H,15H2,1-3H3
InChIKeyAKLHWUYLGTXCDY-UHFFFAOYSA-N
XLogP4.38
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(4-fluorophenyl)methyl]-3-phenoxy-4-(3,4,5-trimethoxyphenyl)azetidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-phenoxy-4-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-phenoxy-4-(3,4,5-trimethoxyphenyl)azetidin-2-one (CID 5228397) is 1-[(4-fluorophenyl)methyl]-3-phenoxy-4-(3,4,5-trimethoxyphenyl)azetidin-2-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-phenoxy-4-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-phenoxy-4-(3,4,5-trimethoxyphenyl)azetidin-2-one is COc1cc(C2C(Oc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc(OC)c1OC.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-phenoxy-4-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The InChIKey is AKLHWUYLGTXCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FNO5/c1-29-20-13-17(14-21(30-2)23(20)31-3)22-24(32-19-7-5-4-6-8-19)25(28)27(22)15-16-9-11-18(26)12-10-16/h4-14,22,24H,15H2,1-3H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-phenoxy-4-(3,4,5-trimethoxyphenyl)azetidin-2-one?
1-[(4-fluorophenyl)methyl]-3-phenoxy-4-(3,4,5-trimethoxyphenyl)azetidin-2-one has a molecular weight of 437.47 g/mol, XLogP of 4.38, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-phenoxy-4-(3,4,5-trimethoxyphenyl)azetidin-2-one is sourced from PubChem (CID 5228397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).