4-[(2R,3R)-2-(4-methoxyphenyl)-3-methyl-4-oxo-1-phenylazetidin-3-yl]benzenediazonium

C23H20N3O2+ — CID 11092078

IUPAC4-[(2R,3R)-2-(4-methoxyphenyl)-3-methyl-4-oxo-1-phenylazetidin-3-yl]benzenediazonium
SMILESCOc1ccc([C@H]2N(c3ccccc3)C(=O)[C@]2(C)c2ccc([N+]#N)cc2)cc1
InChIInChI=1S/C23H20N3O2/c1-23(17-10-12-18(25-24)13-11-17)21(16-8-14-20(28-2)15-9-16)26(22(23)27)19-6-4-3-5-7-19/h3-15,21H,1-2H3/q+1/t21-,23-/m1/s1
InChIKeyLEHZXNFRWYXDRC-FYYLOGMGSA-N
MW370.43 g/mol
LogP5.23
Rot. Bonds4

About 4-[(2R,3R)-2-(4-methoxyphenyl)-3-methyl-4-oxo-1-phenylazetidin-3-yl]benzenediazonium

4-[(2R,3R)-2-(4-methoxyphenyl)-3-methyl-4-oxo-1-phenylazetidin-3-yl]benzenediazonium (PubChem CID 11092078) has the molecular formula C23H20N3O2+ and a molecular weight of 370.43 g/mol. Its IUPAC name is 4-[(2R,3R)-2-(4-methoxyphenyl)-3-methyl-4-oxo-1-phenylazetidin-3-yl]benzenediazonium.

Molecular Properties

Compound Name4-[(2R,3R)-2-(4-methoxyphenyl)-3-methyl-4-oxo-1-phenylazetidin-3-yl]benzenediazonium
PubChem CID11092078
Molecular FormulaC23H20N3O2+
Molecular Weight370.43 g/mol
Exact Mass370.16
IUPAC Name4-[(2R,3R)-2-(4-methoxyphenyl)-3-methyl-4-oxo-1-phenylazetidin-3-yl]benzenediazonium
SMILESCOc1ccc([C@H]2N(c3ccccc3)C(=O)[C@]2(C)c2ccc([N+]#N)cc2)cc1
InChIInChI=1S/C23H20N3O2/c1-23(17-10-12-18(25-24)13-11-17)21(16-8-14-20(28-2)15-9-16)26(22(23)27)19-6-4-3-5-7-19/h3-15,21H,1-2H3/q+1/t21-,23-/m1/s1
InChIKeyLEHZXNFRWYXDRC-FYYLOGMGSA-N
XLogP5.23
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.43
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Related Compounds

4-[(2R,3R)-2-(4-methoxyphenyl)-3-methyl-4-oxo-1-phenylazetidin-3-yl]benzenediazonium;2,2,2-trifluoroacetate
CID 11092077
(3R,4R)-4-(3-methoxyphenyl)-3-methyl-1,3-diphenylazetidin-2-one
CID 11810064
(4R)-3,3-difluoro-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 1217499
3-(3-chlorophenyl)-4-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-methylazetidin-2-one
CID 58007393
(3S,4R)-3-(3-chlorophenyl)-4-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-methylazetidin-2-one
CID 68804778
(3S,4R)-1,3-bis(4-methoxyphenyl)-3-methylsulfanyl-4-phenylazetidin-2-one
CID 102160186
3-amino-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 12545415
(3S,4R)-3-(4-methoxyphenyl)-1,4-diphenyl-3-(2-phenylprop-2-enyl)azetidin-2-one
CID 162417821
(3S,4R)-3-hydroxy-4-(4-methoxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one
CID 102159226
(4S)-4-(4-methoxyphenyl)-1-phenylazetidine-2,3-dione
CID 23636202
(4R)-4-(4-bromophenyl)-1-(4-methoxyphenyl)-3,3-dimethylazetidin-2-one
CID 90667211
(3S,4R)-3-fluoro-4-(4-methoxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one
CID 10644055

Frequently Asked Questions

What is the IUPAC name of 4-[(2R,3R)-2-(4-methoxyphenyl)-3-methyl-4-oxo-1-phenylazetidin-3-yl]benzenediazonium?
The IUPAC name of 4-[(2R,3R)-2-(4-methoxyphenyl)-3-methyl-4-oxo-1-phenylazetidin-3-yl]benzenediazonium (CID 11092078) is 4-[(2R,3R)-2-(4-methoxyphenyl)-3-methyl-4-oxo-1-phenylazetidin-3-yl]benzenediazonium.
What is the SMILES notation for 4-[(2R,3R)-2-(4-methoxyphenyl)-3-methyl-4-oxo-1-phenylazetidin-3-yl]benzenediazonium?
The canonical SMILES for 4-[(2R,3R)-2-(4-methoxyphenyl)-3-methyl-4-oxo-1-phenylazetidin-3-yl]benzenediazonium is COc1ccc([C@H]2N(c3ccccc3)C(=O)[C@]2(C)c2ccc([N+]#N)cc2)cc1.
What is the InChIKey of 4-[(2R,3R)-2-(4-methoxyphenyl)-3-methyl-4-oxo-1-phenylazetidin-3-yl]benzenediazonium?
The InChIKey is LEHZXNFRWYXDRC-FYYLOGMGSA-N. The full InChI is InChI=1S/C23H20N3O2/c1-23(17-10-12-18(25-24)13-11-17)21(16-8-14-20(28-2)15-9-16)26(22(23)27)19-6-4-3-5-7-19/h3-15,21H,1-2H3/q+1/t21-,23-/m1/s1.
What are the key properties of 4-[(2R,3R)-2-(4-methoxyphenyl)-3-methyl-4-oxo-1-phenylazetidin-3-yl]benzenediazonium?
4-[(2R,3R)-2-(4-methoxyphenyl)-3-methyl-4-oxo-1-phenylazetidin-3-yl]benzenediazonium has a molecular weight of 370.43 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,3R)-2-(4-methoxyphenyl)-3-methyl-4-oxo-1-phenylazetidin-3-yl]benzenediazonium is sourced from PubChem (CID 11092078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).