[(2R,3R)-1-benzyl-3-phenylazetidin-2-yl]-phenylmethanimine;dichloropalladium

C23H22Cl2N2Pd — CID 11420719

IUPAC[(2R,3R)-1-benzyl-3-phenylazetidin-2-yl]-phenylmethanimine;dichloropalladium
SMILESCl[Pd]Cl.[H]/N=C(\c1ccccc1)[C@H]1[C@H](c2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C23H22N2.2ClH.Pd/c24-22(20-14-8-3-9-15-20)23-21(19-12-6-2-7-13-19)17-25(23)16-18-10-4-1-5-11-18;;;/h1-15,21,23-24H,16-17H2;2*1H;/q;;;+2/p-2/b24-22+;;;/t21-,23+;;;/m0.../s1
InChIKeyFYRBNEDKBHPDAA-VMWRRZOVSA-L
MW503.77 g/mol
LogP6.10
Rot. Bonds5

About [(2R,3R)-1-benzyl-3-phenylazetidin-2-yl]-phenylmethanimine;dichloropalladium

[(2R,3R)-1-benzyl-3-phenylazetidin-2-yl]-phenylmethanimine;dichloropalladium (PubChem CID 11420719) has the molecular formula C23H22Cl2N2Pd and a molecular weight of 503.77 g/mol. Its IUPAC name is [(2R,3R)-1-benzyl-3-phenylazetidin-2-yl]-phenylmethanimine;dichloropalladium.

Molecular Properties

Compound Name[(2R,3R)-1-benzyl-3-phenylazetidin-2-yl]-phenylmethanimine;dichloropalladium
PubChem CID11420719
Molecular FormulaC23H22Cl2N2Pd
Molecular Weight503.77 g/mol
Exact Mass502.02
IUPAC Name[(2R,3R)-1-benzyl-3-phenylazetidin-2-yl]-phenylmethanimine;dichloropalladium
SMILESCl[Pd]Cl.[H]/N=C(\c1ccccc1)[C@H]1[C@H](c2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C23H22N2.2ClH.Pd/c24-22(20-14-8-3-9-15-20)23-21(19-12-6-2-7-13-19)17-25(23)16-18-10-4-1-5-11-18;;;/h1-15,21,23-24H,16-17H2;2*1H;/q;;;+2/p-2/b24-22+;;;/t21-,23+;;;/m0.../s1
InChIKeyFYRBNEDKBHPDAA-VMWRRZOVSA-L
XLogP6.10
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.77
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(1-benzyl-3-phenylazetidin-2-yl)ethanone
CID 86209046
(2R,3R)-1-benzyl-2-(chloromethyl)-3-phenylazetidine
CID 101250941
(E)-3-[(2S,3R)-1-benzyl-3-phenylazetidin-2-yl]prop-2-en-1-ol
CID 101349406
1-benzyl-3,4-diphenylpyrrolidine
CID 5136126
1-benzyl-4-phenylpyrrolidin-3-ol
CID 12044053
(1S)-1-[(2R,3R)-1-benzyl-3-phenylazetidin-2-yl]-2-methylpropan-1-amine
CID 101385103
(2R,3S,6R)-5-benzyl-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecane
CID 56865189
[(3R,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]-phenylmethanone
CID 125474288
(2S,3S)-1-[(3,4-dimethoxyphenyl)methyl]-3-phenylazetidine-2-carboxylic acid
CID 167796195
(3R,4R)-1-benzyl-4-phenylpiperidin-3-ol
CID 54282589
1-benzyl-3-methylazetidine-2-carboxylic acid
CID 130020571
[(2R,4S)-1-benzyl-4-methylpyrrolidin-2-yl]methanol
CID 23248612

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-1-benzyl-3-phenylazetidin-2-yl]-phenylmethanimine;dichloropalladium?
The IUPAC name of [(2R,3R)-1-benzyl-3-phenylazetidin-2-yl]-phenylmethanimine;dichloropalladium (CID 11420719) is [(2R,3R)-1-benzyl-3-phenylazetidin-2-yl]-phenylmethanimine;dichloropalladium.
What is the SMILES notation for [(2R,3R)-1-benzyl-3-phenylazetidin-2-yl]-phenylmethanimine;dichloropalladium?
The canonical SMILES for [(2R,3R)-1-benzyl-3-phenylazetidin-2-yl]-phenylmethanimine;dichloropalladium is Cl[Pd]Cl.[H]/N=C(\c1ccccc1)[C@H]1[C@H](c2ccccc2)CN1Cc1ccccc1.
What is the InChIKey of [(2R,3R)-1-benzyl-3-phenylazetidin-2-yl]-phenylmethanimine;dichloropalladium?
The InChIKey is FYRBNEDKBHPDAA-VMWRRZOVSA-L. The full InChI is InChI=1S/C23H22N2.2ClH.Pd/c24-22(20-14-8-3-9-15-20)23-21(19-12-6-2-7-13-19)17-25(23)16-18-10-4-1-5-11-18;;;/h1-15,21,23-24H,16-17H2;2*1H;/q;;;+2/p-2/b24-22+;;;/t21-,23+;;;/m0.../s1.
What are the key properties of [(2R,3R)-1-benzyl-3-phenylazetidin-2-yl]-phenylmethanimine;dichloropalladium?
[(2R,3R)-1-benzyl-3-phenylazetidin-2-yl]-phenylmethanimine;dichloropalladium has a molecular weight of 503.77 g/mol, XLogP of 6.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-1-benzyl-3-phenylazetidin-2-yl]-phenylmethanimine;dichloropalladium is sourced from PubChem (CID 11420719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).