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

C23H20FNO — CID 102203464

IUPAC(3R,4S)-1-benzyl-3-fluoro-3-(3-methylphenyl)-4-phenylazetidin-2-one
SMILESCc1cccc([C@]2(F)C(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)c1
InChIInChI=1S/C23H20FNO/c1-17-9-8-14-20(15-17)23(24)21(19-12-6-3-7-13-19)25(22(23)26)16-18-10-4-2-5-11-18/h2-15,21H,16H2,1H3/t21-,23+/m0/s1
InChIKeyICJMGFSGUPGFQR-JTHBVZDNSA-N
MW345.42 g/mol
LogP4.94
Rot. Bonds4

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

(3R,4S)-1-benzyl-3-fluoro-3-(3-methylphenyl)-4-phenylazetidin-2-one (PubChem CID 102203464) has the molecular formula C23H20FNO and a molecular weight of 345.42 g/mol. Its IUPAC name is (3R,4S)-1-benzyl-3-fluoro-3-(3-methylphenyl)-4-phenylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-1-benzyl-3-fluoro-3-(3-methylphenyl)-4-phenylazetidin-2-one
PubChem CID102203464
Molecular FormulaC23H20FNO
Molecular Weight345.42 g/mol
Exact Mass345.15
IUPAC Name(3R,4S)-1-benzyl-3-fluoro-3-(3-methylphenyl)-4-phenylazetidin-2-one
SMILESCc1cccc([C@]2(F)C(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)c1
InChIInChI=1S/C23H20FNO/c1-17-9-8-14-20(15-17)23(24)21(19-12-6-3-7-13-19)25(22(23)26)16-18-10-4-2-5-11-18/h2-15,21H,16H2,1H3/t21-,23+/m0/s1
InChIKeyICJMGFSGUPGFQR-JTHBVZDNSA-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

(3R,4S)-1-benzyl-3-fluoro-4-phenyl-3-[4-(trifluoromethyl)phenyl]azetidin-2-one
CID 71568858
3-benzyl-1-(3-methylphenyl)-3-azabicyclo[3.1.1]heptane-2,4-dione
CID 14838169
(4R)-3-benzyl-4,5,5-triphenyl-1,3-oxazolidin-2-one
CID 10763812
(1R,4S)-2-benzyl-1-phenyl-2,5-diazaspiro[3.4]octan-3-one
CID 11818658
1-benzyl-3,3,4,4,5,5-hexafluoropiperidine-2,6-dione
CID 86616586
(5S)-5-methyl-3-[(3-methylphenyl)methyl]-5-phenylimidazolidine-2,4-dione
CID 7177858
1-benzyl-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione
CID 22520187
1-benzyl-4-phenylazetidin-2-one;ethane
CID 91301101
N-benzyl-N-[1-benzyl-2,3-bis(4-methylphenyl)-4-oxoazetidin-3-yl]benzamide
CID 101407341
(4S,5R)-1-benzyl-5-methyl-4-phenylimidazolidin-2-one
CID 131844665
ethyl (3S,4S)-1-benzyl-2-oxo-4-phenyl-3-phenylsulfanylazetidine-3-carboxylate
CID 11538952
(5S)-1-benzyl-5-phenylimidazolidine-2,4-dione
CID 28819549

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-benzyl-3-fluoro-3-(3-methylphenyl)-4-phenylazetidin-2-one?
The IUPAC name of (3R,4S)-1-benzyl-3-fluoro-3-(3-methylphenyl)-4-phenylazetidin-2-one (CID 102203464) is (3R,4S)-1-benzyl-3-fluoro-3-(3-methylphenyl)-4-phenylazetidin-2-one.
What is the SMILES notation for (3R,4S)-1-benzyl-3-fluoro-3-(3-methylphenyl)-4-phenylazetidin-2-one?
The canonical SMILES for (3R,4S)-1-benzyl-3-fluoro-3-(3-methylphenyl)-4-phenylazetidin-2-one is Cc1cccc([C@]2(F)C(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)c1.
What is the InChIKey of (3R,4S)-1-benzyl-3-fluoro-3-(3-methylphenyl)-4-phenylazetidin-2-one?
The InChIKey is ICJMGFSGUPGFQR-JTHBVZDNSA-N. The full InChI is InChI=1S/C23H20FNO/c1-17-9-8-14-20(15-17)23(24)21(19-12-6-3-7-13-19)25(22(23)26)16-18-10-4-2-5-11-18/h2-15,21H,16H2,1H3/t21-,23+/m0/s1.
What are the key properties of (3R,4S)-1-benzyl-3-fluoro-3-(3-methylphenyl)-4-phenylazetidin-2-one?
(3R,4S)-1-benzyl-3-fluoro-3-(3-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 (3R,4S)-1-benzyl-3-fluoro-3-(3-methylphenyl)-4-phenylazetidin-2-one is sourced from PubChem (CID 102203464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).