4-(4-chlorophenyl)-N-(4-iodophenyl)-1-(4-methoxyphenyl)azetidin-2-imine

C22H18ClIN2O — CID 126702619

IUPAC4-(4-chlorophenyl)-N-(4-iodophenyl)-1-(4-methoxyphenyl)azetidin-2-imine
SMILESCOc1ccc(N2/C(=N/c3ccc(I)cc3)CC2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H18ClIN2O/c1-27-20-12-10-19(11-13-20)26-21(15-2-4-16(23)5-3-15)14-22(26)25-18-8-6-17(24)7-9-18/h2-13,21H,14H2,1H3/b25-22+
InChIKeyKGQXDUXOLVQJMK-YYDJUVGSSA-N
MW488.76 g/mol
LogP6.63
Rot. Bonds4

About 4-(4-chlorophenyl)-N-(4-iodophenyl)-1-(4-methoxyphenyl)azetidin-2-imine

4-(4-chlorophenyl)-N-(4-iodophenyl)-1-(4-methoxyphenyl)azetidin-2-imine (PubChem CID 126702619) has the molecular formula C22H18ClIN2O and a molecular weight of 488.76 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(4-iodophenyl)-1-(4-methoxyphenyl)azetidin-2-imine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(4-iodophenyl)-1-(4-methoxyphenyl)azetidin-2-imine
PubChem CID126702619
Molecular FormulaC22H18ClIN2O
Molecular Weight488.76 g/mol
Exact Mass488.02
IUPAC Name4-(4-chlorophenyl)-N-(4-iodophenyl)-1-(4-methoxyphenyl)azetidin-2-imine
SMILESCOc1ccc(N2/C(=N/c3ccc(I)cc3)CC2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H18ClIN2O/c1-27-20-12-10-19(11-13-20)26-21(15-2-4-16(23)5-3-15)14-22(26)25-18-8-6-17(24)7-9-18/h2-13,21H,14H2,1H3/b25-22+
InChIKeyKGQXDUXOLVQJMK-YYDJUVGSSA-N
XLogP6.63
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.76
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(4-iodophenyl)-1-(4-methoxyphenyl)azetidin-2-imine?
The IUPAC name of 4-(4-chlorophenyl)-N-(4-iodophenyl)-1-(4-methoxyphenyl)azetidin-2-imine (CID 126702619) is 4-(4-chlorophenyl)-N-(4-iodophenyl)-1-(4-methoxyphenyl)azetidin-2-imine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(4-iodophenyl)-1-(4-methoxyphenyl)azetidin-2-imine?
The canonical SMILES for 4-(4-chlorophenyl)-N-(4-iodophenyl)-1-(4-methoxyphenyl)azetidin-2-imine is COc1ccc(N2/C(=N/c3ccc(I)cc3)CC2c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(4-iodophenyl)-1-(4-methoxyphenyl)azetidin-2-imine?
The InChIKey is KGQXDUXOLVQJMK-YYDJUVGSSA-N. The full InChI is InChI=1S/C22H18ClIN2O/c1-27-20-12-10-19(11-13-20)26-21(15-2-4-16(23)5-3-15)14-22(26)25-18-8-6-17(24)7-9-18/h2-13,21H,14H2,1H3/b25-22+.
What are the key properties of 4-(4-chlorophenyl)-N-(4-iodophenyl)-1-(4-methoxyphenyl)azetidin-2-imine?
4-(4-chlorophenyl)-N-(4-iodophenyl)-1-(4-methoxyphenyl)azetidin-2-imine has a molecular weight of 488.76 g/mol, XLogP of 6.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(4-iodophenyl)-1-(4-methoxyphenyl)azetidin-2-imine is sourced from PubChem (CID 126702619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).