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

C22H17F2NO — CID 122232907

IUPAC(3S,4R)-1-benzyl-3-fluoro-3-(4-fluorophenyl)-4-phenylazetidin-2-one
SMILESO=C1N(Cc2ccccc2)[C@H](c2ccccc2)[C@@]1(F)c1ccc(F)cc1
InChIInChI=1S/C22H17F2NO/c23-19-13-11-18(12-14-19)22(24)20(17-9-5-2-6-10-17)25(21(22)26)15-16-7-3-1-4-8-16/h1-14,20H,15H2/t20-,22+/m1/s1
InChIKeyYDEXIUIYALVWDG-IRLDBZIGSA-N
MW349.38 g/mol
LogP4.77
Rot. Bonds4

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

(3S,4R)-1-benzyl-3-fluoro-3-(4-fluorophenyl)-4-phenylazetidin-2-one (PubChem CID 122232907) has the molecular formula C22H17F2NO and a molecular weight of 349.38 g/mol. Its IUPAC name is (3S,4R)-1-benzyl-3-fluoro-3-(4-fluorophenyl)-4-phenylazetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-1-benzyl-3-fluoro-3-(4-fluorophenyl)-4-phenylazetidin-2-one
PubChem CID122232907
Molecular FormulaC22H17F2NO
Molecular Weight349.38 g/mol
Exact Mass349.13
IUPAC Name(3S,4R)-1-benzyl-3-fluoro-3-(4-fluorophenyl)-4-phenylazetidin-2-one
SMILESO=C1N(Cc2ccccc2)[C@H](c2ccccc2)[C@@]1(F)c1ccc(F)cc1
InChIInChI=1S/C22H17F2NO/c23-19-13-11-18(12-14-19)22(24)20(17-9-5-2-6-10-17)25(21(22)26)15-16-7-3-1-4-8-16/h1-14,20H,15H2/t20-,22+/m1/s1
InChIKeyYDEXIUIYALVWDG-IRLDBZIGSA-N
XLogP4.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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4-(2-fluorophenyl)-N,N-di(propan-2-yl)benzamide
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N-[1-(3,4-Difluoro-benzyl)-piperidin-4-yl]-2-phenyl-acetamide
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N-[1-(4-Fluoro-benzyl)-piperidin-4-yl]-2-(3-fluoro-phenyl)-acetamide
CID 9906138
N-[1-(4-Fluoro-benzyl)-piperidin-4-yl]-2-(2-fluoro-phenyl)-acetamide
CID 9906139
1-[4-[(4-Fluorophenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 10367798
[1,1'-Biphenyl]-4-acetamide, N-[(3-fluorophenyl)methyl]-
CID 11702481
N-[(2-fluorophenyl)methyl]-2,2-diphenylacetamide
CID 597819
1-Benzoyl-4-[bis(4-fluorophenyl)methyl]piperazine
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N,N-dibenzyl-2,3,4,5,6-pentafluorobenzamide
CID 2169584

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-benzyl-3-fluoro-3-(4-fluorophenyl)-4-phenylazetidin-2-one?
The IUPAC name of (3S,4R)-1-benzyl-3-fluoro-3-(4-fluorophenyl)-4-phenylazetidin-2-one (CID 122232907) is (3S,4R)-1-benzyl-3-fluoro-3-(4-fluorophenyl)-4-phenylazetidin-2-one.
What is the SMILES notation for (3S,4R)-1-benzyl-3-fluoro-3-(4-fluorophenyl)-4-phenylazetidin-2-one?
The canonical SMILES for (3S,4R)-1-benzyl-3-fluoro-3-(4-fluorophenyl)-4-phenylazetidin-2-one is O=C1N(Cc2ccccc2)[C@H](c2ccccc2)[C@@]1(F)c1ccc(F)cc1.
What is the InChIKey of (3S,4R)-1-benzyl-3-fluoro-3-(4-fluorophenyl)-4-phenylazetidin-2-one?
The InChIKey is YDEXIUIYALVWDG-IRLDBZIGSA-N. The full InChI is InChI=1S/C22H17F2NO/c23-19-13-11-18(12-14-19)22(24)20(17-9-5-2-6-10-17)25(21(22)26)15-16-7-3-1-4-8-16/h1-14,20H,15H2/t20-,22+/m1/s1.
What are the key properties of (3S,4R)-1-benzyl-3-fluoro-3-(4-fluorophenyl)-4-phenylazetidin-2-one?
(3S,4R)-1-benzyl-3-fluoro-3-(4-fluorophenyl)-4-phenylazetidin-2-one has a molecular weight of 349.38 g/mol, XLogP of 4.77, 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-(4-fluorophenyl)-4-phenylazetidin-2-one is sourced from PubChem (CID 122232907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).