2-[(2,6-dimethylphenyl)iminomethyl]-N-(4-methylphenyl)benzamide

C23H22N2O — CID 102455870

IUPAC2-[(2,6-dimethylphenyl)iminomethyl]-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccccc2/C=N/c2c(C)cccc2C)cc1
InChIInChI=1S/C23H22N2O/c1-16-11-13-20(14-12-16)25-23(26)21-10-5-4-9-19(21)15-24-22-17(2)7-6-8-18(22)3/h4-15H,1-3H3,(H,25,26)/b24-15+
InChIKeyCWWWURKNDOKVBT-BUVRLJJBSA-N
MW342.44 g/mol
LogP5.61
Rot. Bonds4

About 2-[(2,6-dimethylphenyl)iminomethyl]-N-(4-methylphenyl)benzamide

2-[(2,6-dimethylphenyl)iminomethyl]-N-(4-methylphenyl)benzamide (PubChem CID 102455870) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[(2,6-dimethylphenyl)iminomethyl]-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name2-[(2,6-dimethylphenyl)iminomethyl]-N-(4-methylphenyl)benzamide
PubChem CID102455870
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC Name2-[(2,6-dimethylphenyl)iminomethyl]-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccccc2/C=N/c2c(C)cccc2C)cc1
InChIInChI=1S/C23H22N2O/c1-16-11-13-20(14-12-16)25-23(26)21-10-5-4-9-19(21)15-24-22-17(2)7-6-8-18(22)3/h4-15H,1-3H3,(H,25,26)/b24-15+
InChIKeyCWWWURKNDOKVBT-BUVRLJJBSA-N
XLogP5.61
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylphenyl)iminomethyl]-N-(4-methylphenyl)benzamide?
The IUPAC name of 2-[(2,6-dimethylphenyl)iminomethyl]-N-(4-methylphenyl)benzamide (CID 102455870) is 2-[(2,6-dimethylphenyl)iminomethyl]-N-(4-methylphenyl)benzamide.
What is the SMILES notation for 2-[(2,6-dimethylphenyl)iminomethyl]-N-(4-methylphenyl)benzamide?
The canonical SMILES for 2-[(2,6-dimethylphenyl)iminomethyl]-N-(4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2ccccc2/C=N/c2c(C)cccc2C)cc1.
What is the InChIKey of 2-[(2,6-dimethylphenyl)iminomethyl]-N-(4-methylphenyl)benzamide?
The InChIKey is CWWWURKNDOKVBT-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H22N2O/c1-16-11-13-20(14-12-16)25-23(26)21-10-5-4-9-19(21)15-24-22-17(2)7-6-8-18(22)3/h4-15H,1-3H3,(H,25,26)/b24-15+.
What are the key properties of 2-[(2,6-dimethylphenyl)iminomethyl]-N-(4-methylphenyl)benzamide?
2-[(2,6-dimethylphenyl)iminomethyl]-N-(4-methylphenyl)benzamide has a molecular weight of 342.44 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylphenyl)iminomethyl]-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 102455870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).