(3R,4R)-4-benzoyl-1-(4-methoxyphenyl)-3-phenylazetidin-2-one

C23H19NO3 — CID 101178816

IUPAC(3R,4R)-4-benzoyl-1-(4-methoxyphenyl)-3-phenylazetidin-2-one
SMILESCOc1ccc(N2C(=O)[C@H](c3ccccc3)[C@@H]2C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H19NO3/c1-27-19-14-12-18(13-15-19)24-21(22(25)17-10-6-3-7-11-17)20(23(24)26)16-8-4-2-5-9-16/h2-15,20-21H,1H3/t20-,21-/m1/s1
InChIKeyPIKBSCQQQHTUME-NHCUHLMSSA-N
MW357.41 g/mol
LogP4.08
Rot. Bonds5

About (3R,4R)-4-benzoyl-1-(4-methoxyphenyl)-3-phenylazetidin-2-one

(3R,4R)-4-benzoyl-1-(4-methoxyphenyl)-3-phenylazetidin-2-one (PubChem CID 101178816) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is (3R,4R)-4-benzoyl-1-(4-methoxyphenyl)-3-phenylazetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-4-benzoyl-1-(4-methoxyphenyl)-3-phenylazetidin-2-one
PubChem CID101178816
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC Name(3R,4R)-4-benzoyl-1-(4-methoxyphenyl)-3-phenylazetidin-2-one
SMILESCOc1ccc(N2C(=O)[C@H](c3ccccc3)[C@@H]2C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H19NO3/c1-27-19-14-12-18(13-15-19)24-21(22(25)17-10-6-3-7-11-17)20(23(24)26)16-8-4-2-5-9-16/h2-15,20-21H,1H3/t20-,21-/m1/s1
InChIKeyPIKBSCQQQHTUME-NHCUHLMSSA-N
XLogP4.08
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-4-benzoyl-1-(4-methoxyphenyl)-3-prop-1-en-2-ylazetidin-2-one
CID 102241614
2-[(2R,3R)-2-benzoyl-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl]acetic acid
CID 67698706
(3S,4S)-4-benzoyl-3-[(1R)-1-hydroxyethyl]-1-(4-methoxyphenyl)azetidin-2-one
CID 14084672
(3R,4S)-1,4-bis(4-methoxyphenyl)-3-phenylazetidin-2-one
CID 101388237
(3R,4S)-1-(4-methoxyphenyl)-4-phenyl-3-prop-1-en-2-ylazetidin-2-one
CID 100945342
(4-methoxyphenyl)-[(2R,3R)-1-methyl-3-phenylaziridin-2-yl]methanone
CID 6562474
(3R,4S)-3-[(Z)-2-methoxyethenyl]-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 102251895
(3S,4R)-4-[bis(phenylsulfanyl)methyl]-1-(4-methoxyphenyl)-3-phenylazetidin-2-one
CID 10576809
(3S,4R)-3-ethenyl-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 14068192
(3R,4R)-1-(4-methoxyphenyl)-4-phenyl-3-propan-2-ylazetidin-2-one
CID 13219690
3-benzoyl-1-(4-methoxyphenyl)piperidin-2-one
CID 166437081
2-[(2S,3R)-2-(4-methoxybenzoyl)-3-phenylaziridin-1-yl]isoindole-1,3-dione
CID 134927133

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-benzoyl-1-(4-methoxyphenyl)-3-phenylazetidin-2-one?
The IUPAC name of (3R,4R)-4-benzoyl-1-(4-methoxyphenyl)-3-phenylazetidin-2-one (CID 101178816) is (3R,4R)-4-benzoyl-1-(4-methoxyphenyl)-3-phenylazetidin-2-one.
What is the SMILES notation for (3R,4R)-4-benzoyl-1-(4-methoxyphenyl)-3-phenylazetidin-2-one?
The canonical SMILES for (3R,4R)-4-benzoyl-1-(4-methoxyphenyl)-3-phenylazetidin-2-one is COc1ccc(N2C(=O)[C@H](c3ccccc3)[C@@H]2C(=O)c2ccccc2)cc1.
What is the InChIKey of (3R,4R)-4-benzoyl-1-(4-methoxyphenyl)-3-phenylazetidin-2-one?
The InChIKey is PIKBSCQQQHTUME-NHCUHLMSSA-N. The full InChI is InChI=1S/C23H19NO3/c1-27-19-14-12-18(13-15-19)24-21(22(25)17-10-6-3-7-11-17)20(23(24)26)16-8-4-2-5-9-16/h2-15,20-21H,1H3/t20-,21-/m1/s1.
What are the key properties of (3R,4R)-4-benzoyl-1-(4-methoxyphenyl)-3-phenylazetidin-2-one?
(3R,4R)-4-benzoyl-1-(4-methoxyphenyl)-3-phenylazetidin-2-one has a molecular weight of 357.41 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-benzoyl-1-(4-methoxyphenyl)-3-phenylazetidin-2-one is sourced from PubChem (CID 101178816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).