3-benzyl-1,4-diphenylazetidin-2-one

C22H19NO — CID 11842381

IUPAC3-benzyl-1,4-diphenylazetidin-2-one
SMILESO=C1C(Cc2ccccc2)C(c2ccccc2)N1c1ccccc1
InChIInChI=1S/C22H19NO/c24-22-20(16-17-10-4-1-5-11-17)21(18-12-6-2-7-13-18)23(22)19-14-8-3-9-15-19/h1-15,20-21H,16H2
InChIKeyOAJDVBJWASMZHT-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.63
Rot. Bonds4

About 3-benzyl-1,4-diphenylazetidin-2-one

3-benzyl-1,4-diphenylazetidin-2-one (PubChem CID 11842381) has the molecular formula C22H19NO and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-benzyl-1,4-diphenylazetidin-2-one.

Molecular Properties

Compound Name3-benzyl-1,4-diphenylazetidin-2-one
PubChem CID11842381
Molecular FormulaC22H19NO
Molecular Weight313.40 g/mol
Exact Mass313.15
IUPAC Name3-benzyl-1,4-diphenylazetidin-2-one
SMILESO=C1C(Cc2ccccc2)C(c2ccccc2)N1c1ccccc1
InChIInChI=1S/C22H19NO/c24-22-20(16-17-10-4-1-5-11-17)21(18-12-6-2-7-13-18)23(22)19-14-8-3-9-15-19/h1-15,20-21H,16H2
InChIKeyOAJDVBJWASMZHT-UHFFFAOYSA-N
XLogP4.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1,4-diphenylazetidin-2-one?
The IUPAC name of 3-benzyl-1,4-diphenylazetidin-2-one (CID 11842381) is 3-benzyl-1,4-diphenylazetidin-2-one.
What is the SMILES notation for 3-benzyl-1,4-diphenylazetidin-2-one?
The canonical SMILES for 3-benzyl-1,4-diphenylazetidin-2-one is O=C1C(Cc2ccccc2)C(c2ccccc2)N1c1ccccc1.
What is the InChIKey of 3-benzyl-1,4-diphenylazetidin-2-one?
The InChIKey is OAJDVBJWASMZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO/c24-22-20(16-17-10-4-1-5-11-17)21(18-12-6-2-7-13-18)23(22)19-14-8-3-9-15-19/h1-15,20-21H,16H2.
What are the key properties of 3-benzyl-1,4-diphenylazetidin-2-one?
3-benzyl-1,4-diphenylazetidin-2-one has a molecular weight of 313.40 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1,4-diphenylazetidin-2-one is sourced from PubChem (CID 11842381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).