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

C22H18FNO — CID 122232903

IUPAC(3S,4R)-1-benzyl-3-fluoro-3,4-diphenylazetidin-2-one
SMILESO=C1N(Cc2ccccc2)[C@H](c2ccccc2)[C@@]1(F)c1ccccc1
InChIInChI=1S/C22H18FNO/c23-22(19-14-8-3-9-15-19)20(18-12-6-2-7-13-18)24(21(22)25)16-17-10-4-1-5-11-17/h1-15,20H,16H2/t20-,22+/m1/s1
InChIKeyAPMDSUHXPDHMBH-IRLDBZIGSA-N
MW331.39 g/mol
LogP4.64
Rot. Bonds4

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

(3S,4R)-1-benzyl-3-fluoro-3,4-diphenylazetidin-2-one (PubChem CID 122232903) has the molecular formula C22H18FNO and a molecular weight of 331.39 g/mol. Its IUPAC name is (3S,4R)-1-benzyl-3-fluoro-3,4-diphenylazetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-1-benzyl-3-fluoro-3,4-diphenylazetidin-2-one
PubChem CID122232903
Molecular FormulaC22H18FNO
Molecular Weight331.39 g/mol
Exact Mass331.14
IUPAC Name(3S,4R)-1-benzyl-3-fluoro-3,4-diphenylazetidin-2-one
SMILESO=C1N(Cc2ccccc2)[C@H](c2ccccc2)[C@@]1(F)c1ccccc1
InChIInChI=1S/C22H18FNO/c23-22(19-14-8-3-9-15-19)20(18-12-6-2-7-13-18)24(21(22)25)16-17-10-4-1-5-11-17/h1-15,20H,16H2/t20-,22+/m1/s1
InChIKeyAPMDSUHXPDHMBH-IRLDBZIGSA-N
XLogP4.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 101312
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N,N-dibenzyl-2,6-difluorobenzamide
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N-benzyl-N-isopropyl-3-phenylpropanamide
CID 875288
N-cyclohexyl-N-methyl-4-phenylbenzamide
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N-Benzyl-N-methyl-2-phenylacetamide
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Benzamide, N,N-dicyclohexyl-
CID 95053
4-(2-fluorophenyl)-N,N-di(propan-2-yl)benzamide
CID 2741225
N-benzyl-N-methyl-3-phenylpropanamide
CID 670103
N-benzyl-2-(4-phenylphenyl)acetamide
CID 2558390
1-[4-[(4-Fluorophenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 10367798

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-benzyl-3-fluoro-3,4-diphenylazetidin-2-one?
The IUPAC name of (3S,4R)-1-benzyl-3-fluoro-3,4-diphenylazetidin-2-one (CID 122232903) is (3S,4R)-1-benzyl-3-fluoro-3,4-diphenylazetidin-2-one.
What is the SMILES notation for (3S,4R)-1-benzyl-3-fluoro-3,4-diphenylazetidin-2-one?
The canonical SMILES for (3S,4R)-1-benzyl-3-fluoro-3,4-diphenylazetidin-2-one is O=C1N(Cc2ccccc2)[C@H](c2ccccc2)[C@@]1(F)c1ccccc1.
What is the InChIKey of (3S,4R)-1-benzyl-3-fluoro-3,4-diphenylazetidin-2-one?
The InChIKey is APMDSUHXPDHMBH-IRLDBZIGSA-N. The full InChI is InChI=1S/C22H18FNO/c23-22(19-14-8-3-9-15-19)20(18-12-6-2-7-13-18)24(21(22)25)16-17-10-4-1-5-11-17/h1-15,20H,16H2/t20-,22+/m1/s1.
What are the key properties of (3S,4R)-1-benzyl-3-fluoro-3,4-diphenylazetidin-2-one?
(3S,4R)-1-benzyl-3-fluoro-3,4-diphenylazetidin-2-one has a molecular weight of 331.39 g/mol, XLogP of 4.64, 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-diphenylazetidin-2-one is sourced from PubChem (CID 122232903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).