(3S,4R)-1-benzyl-3-fluoro-3-(2-methylphenyl)-4-phenylazetidin-2-one

C23H20FNO — CID 122232914

IUPAC(3S,4R)-1-benzyl-3-fluoro-3-(2-methylphenyl)-4-phenylazetidin-2-one
SMILESCc1ccccc1[C@@]1(F)C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C23H20FNO/c1-17-10-8-9-15-20(17)23(24)21(19-13-6-3-7-14-19)25(22(23)26)16-18-11-4-2-5-12-18/h2-15,21H,16H2,1H3/t21-,23+/m1/s1
InChIKeyQVJOBDKCLTUOHU-GGAORHGYSA-N
MW345.42 g/mol
LogP4.94
Rot. Bonds4

About (3S,4R)-1-benzyl-3-fluoro-3-(2-methylphenyl)-4-phenylazetidin-2-one

(3S,4R)-1-benzyl-3-fluoro-3-(2-methylphenyl)-4-phenylazetidin-2-one (PubChem CID 122232914) has the molecular formula C23H20FNO and a molecular weight of 345.42 g/mol. Its IUPAC name is (3S,4R)-1-benzyl-3-fluoro-3-(2-methylphenyl)-4-phenylazetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-1-benzyl-3-fluoro-3-(2-methylphenyl)-4-phenylazetidin-2-one
PubChem CID122232914
Molecular FormulaC23H20FNO
Molecular Weight345.42 g/mol
Exact Mass345.15
IUPAC Name(3S,4R)-1-benzyl-3-fluoro-3-(2-methylphenyl)-4-phenylazetidin-2-one
SMILESCc1ccccc1[C@@]1(F)C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C23H20FNO/c1-17-10-8-9-15-20(17)23(24)21(19-13-6-3-7-14-19)25(22(23)26)16-18-11-4-2-5-12-18/h2-15,21H,16H2,1H3/t21-,23+/m1/s1
InChIKeyQVJOBDKCLTUOHU-GGAORHGYSA-N
XLogP4.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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N-benzyl-N-tert-butyl-3-phenylpropanamide
CID 1319993
N-benzhydryl-2-fluoro-N-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-benzyl-3-fluoro-3-(2-methylphenyl)-4-phenylazetidin-2-one?
The IUPAC name of (3S,4R)-1-benzyl-3-fluoro-3-(2-methylphenyl)-4-phenylazetidin-2-one (CID 122232914) is (3S,4R)-1-benzyl-3-fluoro-3-(2-methylphenyl)-4-phenylazetidin-2-one.
What is the SMILES notation for (3S,4R)-1-benzyl-3-fluoro-3-(2-methylphenyl)-4-phenylazetidin-2-one?
The canonical SMILES for (3S,4R)-1-benzyl-3-fluoro-3-(2-methylphenyl)-4-phenylazetidin-2-one is Cc1ccccc1[C@@]1(F)C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of (3S,4R)-1-benzyl-3-fluoro-3-(2-methylphenyl)-4-phenylazetidin-2-one?
The InChIKey is QVJOBDKCLTUOHU-GGAORHGYSA-N. The full InChI is InChI=1S/C23H20FNO/c1-17-10-8-9-15-20(17)23(24)21(19-13-6-3-7-14-19)25(22(23)26)16-18-11-4-2-5-12-18/h2-15,21H,16H2,1H3/t21-,23+/m1/s1.
What are the key properties of (3S,4R)-1-benzyl-3-fluoro-3-(2-methylphenyl)-4-phenylazetidin-2-one?
(3S,4R)-1-benzyl-3-fluoro-3-(2-methylphenyl)-4-phenylazetidin-2-one has a molecular weight of 345.42 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-benzyl-3-fluoro-3-(2-methylphenyl)-4-phenylazetidin-2-one is sourced from PubChem (CID 122232914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).