1-(4-chlorophenyl)-2-(4-fluorophenyl)-N'-methyl-N-(4-methylphenyl)ethane-1,2-diimine

C22H18ClFN2 — CID 102107300

IUPAC1-(4-chlorophenyl)-2-(4-fluorophenyl)-N'-methyl-N-(4-methylphenyl)ethane-1,2-diimine
SMILESC/N=C(C(=N/c1ccc(C)cc1)/c1ccc(Cl)cc1)\c1ccc(F)cc1
InChIInChI=1S/C22H18ClFN2/c1-15-3-13-20(14-4-15)26-22(17-5-9-18(23)10-6-17)21(25-2)16-7-11-19(24)12-8-16/h3-14H,1-2H3/b25-21+,26-22+
InChIKeyWZGBHSAICRHDRT-CDTUYSNOSA-N
MW364.85 g/mol
LogP6.03
Rot. Bonds4

About 1-(4-chlorophenyl)-2-(4-fluorophenyl)-N'-methyl-N-(4-methylphenyl)ethane-1,2-diimine

1-(4-chlorophenyl)-2-(4-fluorophenyl)-N'-methyl-N-(4-methylphenyl)ethane-1,2-diimine (PubChem CID 102107300) has the molecular formula C22H18ClFN2 and a molecular weight of 364.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(4-fluorophenyl)-N'-methyl-N-(4-methylphenyl)ethane-1,2-diimine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(4-fluorophenyl)-N'-methyl-N-(4-methylphenyl)ethane-1,2-diimine
PubChem CID102107300
Molecular FormulaC22H18ClFN2
Molecular Weight364.85 g/mol
Exact Mass364.11
IUPAC Name1-(4-chlorophenyl)-2-(4-fluorophenyl)-N'-methyl-N-(4-methylphenyl)ethane-1,2-diimine
SMILESC/N=C(C(=N/c1ccc(C)cc1)/c1ccc(Cl)cc1)\c1ccc(F)cc1
InChIInChI=1S/C22H18ClFN2/c1-15-3-13-20(14-4-15)26-22(17-5-9-18(23)10-6-17)21(25-2)16-7-11-19(24)12-8-16/h3-14H,1-2H3/b25-21+,26-22+
InChIKeyWZGBHSAICRHDRT-CDTUYSNOSA-N
XLogP6.03
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.85
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-(4-chlorophenyl)-2-(4-fluorophenyl)-N'-methyl-N-(4-methylphenyl)ethane-1,2-diimine 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 1-(4-chlorophenyl)-2-(4-fluorophenyl)-N'-methyl-N-(4-methylphenyl)ethane-1,2-diimine?
The IUPAC name of 1-(4-chlorophenyl)-2-(4-fluorophenyl)-N'-methyl-N-(4-methylphenyl)ethane-1,2-diimine (CID 102107300) is 1-(4-chlorophenyl)-2-(4-fluorophenyl)-N'-methyl-N-(4-methylphenyl)ethane-1,2-diimine.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(4-fluorophenyl)-N'-methyl-N-(4-methylphenyl)ethane-1,2-diimine?
The canonical SMILES for 1-(4-chlorophenyl)-2-(4-fluorophenyl)-N'-methyl-N-(4-methylphenyl)ethane-1,2-diimine is C/N=C(C(=N/c1ccc(C)cc1)/c1ccc(Cl)cc1)\c1ccc(F)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(4-fluorophenyl)-N'-methyl-N-(4-methylphenyl)ethane-1,2-diimine?
The InChIKey is WZGBHSAICRHDRT-CDTUYSNOSA-N. The full InChI is InChI=1S/C22H18ClFN2/c1-15-3-13-20(14-4-15)26-22(17-5-9-18(23)10-6-17)21(25-2)16-7-11-19(24)12-8-16/h3-14H,1-2H3/b25-21+,26-22+.
What are the key properties of 1-(4-chlorophenyl)-2-(4-fluorophenyl)-N'-methyl-N-(4-methylphenyl)ethane-1,2-diimine?
1-(4-chlorophenyl)-2-(4-fluorophenyl)-N'-methyl-N-(4-methylphenyl)ethane-1,2-diimine has a molecular weight of 364.85 g/mol, XLogP of 6.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(4-fluorophenyl)-N'-methyl-N-(4-methylphenyl)ethane-1,2-diimine is sourced from PubChem (CID 102107300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).