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

C23H20FNO — CID 122232904

IUPAC(3S,4R)-1-benzyl-3-fluoro-3-(4-methylphenyl)-4-phenylazetidin-2-one
SMILESCc1ccc([C@@]2(F)C(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C23H20FNO/c1-17-12-14-20(15-13-17)23(24)21(19-10-6-3-7-11-19)25(22(23)26)16-18-8-4-2-5-9-18/h2-15,21H,16H2,1H3/t21-,23+/m1/s1
InChIKeyPMNYZHGPAGPECX-GGAORHGYSA-N
MW345.42 g/mol
LogP4.94
Rot. Bonds4

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

(3S,4R)-1-benzyl-3-fluoro-3-(4-methylphenyl)-4-phenylazetidin-2-one (PubChem CID 122232904) 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-(4-methylphenyl)-4-phenylazetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-1-benzyl-3-fluoro-3-(4-methylphenyl)-4-phenylazetidin-2-one
PubChem CID122232904
Molecular FormulaC23H20FNO
Molecular Weight345.42 g/mol
Exact Mass345.15
IUPAC Name(3S,4R)-1-benzyl-3-fluoro-3-(4-methylphenyl)-4-phenylazetidin-2-one
SMILESCc1ccc([C@@]2(F)C(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C23H20FNO/c1-17-12-14-20(15-13-17)23(24)21(19-10-6-3-7-11-19)25(22(23)26)16-18-8-4-2-5-9-18/h2-15,21H,16H2,1H3/t21-,23+/m1/s1
InChIKeyPMNYZHGPAGPECX-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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CID 9821780
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CID 875288
N-cyclohexyl-N-methyl-4-phenylbenzamide
CID 1226772
N-Benzyl-N-methyl-2-phenylacetamide
CID 692800
(3R,3aR,7aR)-2-benzyl-3-[4-fluoro-3-(4-methylphenyl)phenyl]-7a-methyl-3,3a,6,7-tetrahydroisoindol-1-one
CID 16060500
4-(2-fluorophenyl)-N,N-di(propan-2-yl)benzamide
CID 2741225
N-[(4-methylphenyl)methyl]-2,2-diphenylacetamide
CID 4072950
N,N-diethyl-4-phenylbenzamide
CID 791562
N-benzyl-2-(4-phenylphenyl)acetamide
CID 2558390
[1,1'-Biphenyl]-4-acetamide, N-[(3-fluorophenyl)methyl]-
CID 11702481
N-benzyl-N-tert-butyl-3-phenylpropanamide
CID 1319993
2-(4-biphenylyl)-N-(4-methylbenzyl)acetamide
CID 2185046

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-benzyl-3-fluoro-3-(4-methylphenyl)-4-phenylazetidin-2-one?
The IUPAC name of (3S,4R)-1-benzyl-3-fluoro-3-(4-methylphenyl)-4-phenylazetidin-2-one (CID 122232904) is (3S,4R)-1-benzyl-3-fluoro-3-(4-methylphenyl)-4-phenylazetidin-2-one.
What is the SMILES notation for (3S,4R)-1-benzyl-3-fluoro-3-(4-methylphenyl)-4-phenylazetidin-2-one?
The canonical SMILES for (3S,4R)-1-benzyl-3-fluoro-3-(4-methylphenyl)-4-phenylazetidin-2-one is Cc1ccc([C@@]2(F)C(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (3S,4R)-1-benzyl-3-fluoro-3-(4-methylphenyl)-4-phenylazetidin-2-one?
The InChIKey is PMNYZHGPAGPECX-GGAORHGYSA-N. The full InChI is InChI=1S/C23H20FNO/c1-17-12-14-20(15-13-17)23(24)21(19-10-6-3-7-11-19)25(22(23)26)16-18-8-4-2-5-9-18/h2-15,21H,16H2,1H3/t21-,23+/m1/s1.
What are the key properties of (3S,4R)-1-benzyl-3-fluoro-3-(4-methylphenyl)-4-phenylazetidin-2-one?
(3S,4R)-1-benzyl-3-fluoro-3-(4-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-(4-methylphenyl)-4-phenylazetidin-2-one is sourced from PubChem (CID 122232904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).