4-(3,5-dichlorophenyl)-N-(4-iodophenyl)-1-(4-methoxyphenyl)azetidin-2-imine

C22H17Cl2IN2O — CID 126702633

IUPAC4-(3,5-dichlorophenyl)-N-(4-iodophenyl)-1-(4-methoxyphenyl)azetidin-2-imine
SMILESCOc1ccc(N2/C(=N/c3ccc(I)cc3)CC2c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C22H17Cl2IN2O/c1-28-20-8-6-19(7-9-20)27-21(14-10-15(23)12-16(24)11-14)13-22(27)26-18-4-2-17(25)3-5-18/h2-12,21H,13H2,1H3/b26-22+
InChIKeyRHLPSPDLADEZJH-XTCLZLMSSA-N
MW523.20 g/mol
LogP7.29
Rot. Bonds4

About 4-(3,5-dichlorophenyl)-N-(4-iodophenyl)-1-(4-methoxyphenyl)azetidin-2-imine

4-(3,5-dichlorophenyl)-N-(4-iodophenyl)-1-(4-methoxyphenyl)azetidin-2-imine (PubChem CID 126702633) has the molecular formula C22H17Cl2IN2O and a molecular weight of 523.20 g/mol. Its IUPAC name is 4-(3,5-dichlorophenyl)-N-(4-iodophenyl)-1-(4-methoxyphenyl)azetidin-2-imine.

Molecular Properties

Compound Name4-(3,5-dichlorophenyl)-N-(4-iodophenyl)-1-(4-methoxyphenyl)azetidin-2-imine
PubChem CID126702633
Molecular FormulaC22H17Cl2IN2O
Molecular Weight523.20 g/mol
Exact Mass521.98
IUPAC Name4-(3,5-dichlorophenyl)-N-(4-iodophenyl)-1-(4-methoxyphenyl)azetidin-2-imine
SMILESCOc1ccc(N2/C(=N/c3ccc(I)cc3)CC2c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C22H17Cl2IN2O/c1-28-20-8-6-19(7-9-20)27-21(14-10-15(23)12-16(24)11-14)13-22(27)26-18-4-2-17(25)3-5-18/h2-12,21H,13H2,1H3/b26-22+
InChIKeyRHLPSPDLADEZJH-XTCLZLMSSA-N
XLogP7.29
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.20
LogP ≤ 57.29
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'}

Analyze 4-(3,5-dichlorophenyl)-N-(4-iodophenyl)-1-(4-methoxyphenyl)azetidin-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichlorophenyl)-N-(4-iodophenyl)-1-(4-methoxyphenyl)azetidin-2-imine?
The IUPAC name of 4-(3,5-dichlorophenyl)-N-(4-iodophenyl)-1-(4-methoxyphenyl)azetidin-2-imine (CID 126702633) is 4-(3,5-dichlorophenyl)-N-(4-iodophenyl)-1-(4-methoxyphenyl)azetidin-2-imine.
What is the SMILES notation for 4-(3,5-dichlorophenyl)-N-(4-iodophenyl)-1-(4-methoxyphenyl)azetidin-2-imine?
The canonical SMILES for 4-(3,5-dichlorophenyl)-N-(4-iodophenyl)-1-(4-methoxyphenyl)azetidin-2-imine is COc1ccc(N2/C(=N/c3ccc(I)cc3)CC2c2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of 4-(3,5-dichlorophenyl)-N-(4-iodophenyl)-1-(4-methoxyphenyl)azetidin-2-imine?
The InChIKey is RHLPSPDLADEZJH-XTCLZLMSSA-N. The full InChI is InChI=1S/C22H17Cl2IN2O/c1-28-20-8-6-19(7-9-20)27-21(14-10-15(23)12-16(24)11-14)13-22(27)26-18-4-2-17(25)3-5-18/h2-12,21H,13H2,1H3/b26-22+.
What are the key properties of 4-(3,5-dichlorophenyl)-N-(4-iodophenyl)-1-(4-methoxyphenyl)azetidin-2-imine?
4-(3,5-dichlorophenyl)-N-(4-iodophenyl)-1-(4-methoxyphenyl)azetidin-2-imine has a molecular weight of 523.20 g/mol, XLogP of 7.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichlorophenyl)-N-(4-iodophenyl)-1-(4-methoxyphenyl)azetidin-2-imine is sourced from PubChem (CID 126702633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).