4-benzoyl-1-(4-methoxyphenyl)-3,4-diphenylazetidin-2-one

C29H23NO3 — CID 12823050

IUPAC4-benzoyl-1-(4-methoxyphenyl)-3,4-diphenylazetidin-2-one
SMILESCOc1ccc(N2C(=O)C(c3ccccc3)C2(C(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H23NO3/c1-33-25-19-17-24(18-20-25)30-28(32)26(21-11-5-2-6-12-21)29(30,23-15-9-4-10-16-23)27(31)22-13-7-3-8-14-22/h2-20,26H,1H3
InChIKeySWSAOJQJXUYSJB-UHFFFAOYSA-N
MW433.51 g/mol
LogP5.60
Rot. Bonds6

About 4-benzoyl-1-(4-methoxyphenyl)-3,4-diphenylazetidin-2-one

4-benzoyl-1-(4-methoxyphenyl)-3,4-diphenylazetidin-2-one (PubChem CID 12823050) has the molecular formula C29H23NO3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 4-benzoyl-1-(4-methoxyphenyl)-3,4-diphenylazetidin-2-one.

Molecular Properties

Compound Name4-benzoyl-1-(4-methoxyphenyl)-3,4-diphenylazetidin-2-one
PubChem CID12823050
Molecular FormulaC29H23NO3
Molecular Weight433.51 g/mol
Exact Mass433.17
IUPAC Name4-benzoyl-1-(4-methoxyphenyl)-3,4-diphenylazetidin-2-one
SMILESCOc1ccc(N2C(=O)C(c3ccccc3)C2(C(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H23NO3/c1-33-25-19-17-24(18-20-25)30-28(32)26(21-11-5-2-6-12-21)29(30,23-15-9-4-10-16-23)27(31)22-13-7-3-8-14-22/h2-20,26H,1H3
InChIKeySWSAOJQJXUYSJB-UHFFFAOYSA-N
XLogP5.60
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-1-(4-methoxyphenyl)-3,4-diphenylazetidin-2-one?
The IUPAC name of 4-benzoyl-1-(4-methoxyphenyl)-3,4-diphenylazetidin-2-one (CID 12823050) is 4-benzoyl-1-(4-methoxyphenyl)-3,4-diphenylazetidin-2-one.
What is the SMILES notation for 4-benzoyl-1-(4-methoxyphenyl)-3,4-diphenylazetidin-2-one?
The canonical SMILES for 4-benzoyl-1-(4-methoxyphenyl)-3,4-diphenylazetidin-2-one is COc1ccc(N2C(=O)C(c3ccccc3)C2(C(=O)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-benzoyl-1-(4-methoxyphenyl)-3,4-diphenylazetidin-2-one?
The InChIKey is SWSAOJQJXUYSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23NO3/c1-33-25-19-17-24(18-20-25)30-28(32)26(21-11-5-2-6-12-21)29(30,23-15-9-4-10-16-23)27(31)22-13-7-3-8-14-22/h2-20,26H,1H3.
What are the key properties of 4-benzoyl-1-(4-methoxyphenyl)-3,4-diphenylazetidin-2-one?
4-benzoyl-1-(4-methoxyphenyl)-3,4-diphenylazetidin-2-one has a molecular weight of 433.51 g/mol, XLogP of 5.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-1-(4-methoxyphenyl)-3,4-diphenylazetidin-2-one is sourced from PubChem (CID 12823050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).