(3R,4R)-1-benzyl-3-[cyclohexyl(hydroxy)methyl]-3-fluoro-4-phenylazetidin-2-one

C23H26FNO2 — CID 102137191

IUPAC(3R,4R)-1-benzyl-3-[cyclohexyl(hydroxy)methyl]-3-fluoro-4-phenylazetidin-2-one
SMILESO=C1N(Cc2ccccc2)[C@H](c2ccccc2)[C@@]1(F)C(O)C1CCCCC1
InChIInChI=1S/C23H26FNO2/c24-23(21(26)19-14-8-3-9-15-19)20(18-12-6-2-7-13-18)25(22(23)27)16-17-10-4-1-5-11-17/h1-2,4-7,10-13,19-21,26H,3,8-9,14-16H2/t20-,21?,23-/m1/s1
InChIKeyFZOZLSZJHMFKFU-RAMXQINQSA-N
MW367.46 g/mol
LogP4.42
Rot. Bonds5

About (3R,4R)-1-benzyl-3-[cyclohexyl(hydroxy)methyl]-3-fluoro-4-phenylazetidin-2-one

(3R,4R)-1-benzyl-3-[cyclohexyl(hydroxy)methyl]-3-fluoro-4-phenylazetidin-2-one (PubChem CID 102137191) has the molecular formula C23H26FNO2 and a molecular weight of 367.46 g/mol. Its IUPAC name is (3R,4R)-1-benzyl-3-[cyclohexyl(hydroxy)methyl]-3-fluoro-4-phenylazetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-1-benzyl-3-[cyclohexyl(hydroxy)methyl]-3-fluoro-4-phenylazetidin-2-one
PubChem CID102137191
Molecular FormulaC23H26FNO2
Molecular Weight367.46 g/mol
Exact Mass367.19
IUPAC Name(3R,4R)-1-benzyl-3-[cyclohexyl(hydroxy)methyl]-3-fluoro-4-phenylazetidin-2-one
SMILESO=C1N(Cc2ccccc2)[C@H](c2ccccc2)[C@@]1(F)C(O)C1CCCCC1
InChIInChI=1S/C23H26FNO2/c24-23(21(26)19-14-8-3-9-15-19)20(18-12-6-2-7-13-18)25(22(23)27)16-17-10-4-1-5-11-17/h1-2,4-7,10-13,19-21,26H,3,8-9,14-16H2/t20-,21?,23-/m1/s1
InChIKeyFZOZLSZJHMFKFU-RAMXQINQSA-N
XLogP4.42
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2,2-difluoro-3-hydroxy-5-phenylpentanamide
CID 17761922
(3S,4S)-3-[(1R,2R)-2-azido-1-hydroxybutyl]-3-bromo-4-phenyl-1-[(1S)-1-phenylethyl]azetidin-2-one
CID 11994613
(3S,4S)-3-[(1S,2S)-2-azido-1-hydroxybutyl]-3-bromo-4-phenyl-1-[(1S)-1-phenylethyl]azetidin-2-one
CID 11995102
1-[1-(3,4-Difluorobenzyl)-4-piperidyl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one
CID 91912881
N-(diphenyl)methyl-3(S)-[1'(R)-hydroxoethyl]-4(S)-[2",2"-dimethyl-1"-oxopropyl]-2-azetidinone
CID 11382972
(3S,4S)-1-benzhydryl-4-benzoyl-3-[(1R)-1-hydroxyethyl]azetidin-2-one
CID 11463283
(4S)-3,3-difluoro-1-[(1R)-2-hydroxy-1-phenylethyl]-4-phenylazetidin-2-one
CID 10638141
(4S)-3,3-difluoro-1-[(1S)-2-hydroxy-1-phenylethyl]-4-phenylazetidin-2-one
CID 102156829
(3S,4S)-3-fluoro-3-[(S)-hydroxy(phenyl)methyl]-4-(4-methylphenyl)azetidin-2-one
CID 102483809
(2R*,3R*)-N-Benzyl-2-((S*)-1-hydroxy-3-phenylpropyl)-3-(trifluoromethyl)glutarimide
CID 139188975
(3S,4S)-1-Benzhydryl-4-(cyclopropylcarbonyl)-3-[(1R)-1-hydroxyethyl]azetidin-2-one
CID 11416796
ethyl (3R,4R)-1-benzyl-2-oxo-4-phenylazetidine-3-carboxylate
CID 12168118

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-benzyl-3-[cyclohexyl(hydroxy)methyl]-3-fluoro-4-phenylazetidin-2-one?
The IUPAC name of (3R,4R)-1-benzyl-3-[cyclohexyl(hydroxy)methyl]-3-fluoro-4-phenylazetidin-2-one (CID 102137191) is (3R,4R)-1-benzyl-3-[cyclohexyl(hydroxy)methyl]-3-fluoro-4-phenylazetidin-2-one.
What is the SMILES notation for (3R,4R)-1-benzyl-3-[cyclohexyl(hydroxy)methyl]-3-fluoro-4-phenylazetidin-2-one?
The canonical SMILES for (3R,4R)-1-benzyl-3-[cyclohexyl(hydroxy)methyl]-3-fluoro-4-phenylazetidin-2-one is O=C1N(Cc2ccccc2)[C@H](c2ccccc2)[C@@]1(F)C(O)C1CCCCC1.
What is the InChIKey of (3R,4R)-1-benzyl-3-[cyclohexyl(hydroxy)methyl]-3-fluoro-4-phenylazetidin-2-one?
The InChIKey is FZOZLSZJHMFKFU-RAMXQINQSA-N. The full InChI is InChI=1S/C23H26FNO2/c24-23(21(26)19-14-8-3-9-15-19)20(18-12-6-2-7-13-18)25(22(23)27)16-17-10-4-1-5-11-17/h1-2,4-7,10-13,19-21,26H,3,8-9,14-16H2/t20-,21?,23-/m1/s1.
What are the key properties of (3R,4R)-1-benzyl-3-[cyclohexyl(hydroxy)methyl]-3-fluoro-4-phenylazetidin-2-one?
(3R,4R)-1-benzyl-3-[cyclohexyl(hydroxy)methyl]-3-fluoro-4-phenylazetidin-2-one has a molecular weight of 367.46 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-benzyl-3-[cyclohexyl(hydroxy)methyl]-3-fluoro-4-phenylazetidin-2-one is sourced from PubChem (CID 102137191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).