2-benzyl-N-(4-methylphenyl)-3-oxo-1H-isoindole-1-carboxamide

C23H20N2O2 — CID 44552144

IUPAC2-benzyl-N-(4-methylphenyl)-3-oxo-1H-isoindole-1-carboxamide
SMILESCc1ccc(NC(=O)C2c3ccccc3C(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C23H20N2O2/c1-16-11-13-18(14-12-16)24-22(26)21-19-9-5-6-10-20(19)23(27)25(21)15-17-7-3-2-4-8-17/h2-14,21H,15H2,1H3,(H,24,26)
InChIKeyULLUPCCTUWBWRR-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.33
Rot. Bonds4

About 2-benzyl-N-(4-methylphenyl)-3-oxo-1H-isoindole-1-carboxamide

2-benzyl-N-(4-methylphenyl)-3-oxo-1H-isoindole-1-carboxamide (PubChem CID 44552144) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-benzyl-N-(4-methylphenyl)-3-oxo-1H-isoindole-1-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-(4-methylphenyl)-3-oxo-1H-isoindole-1-carboxamide
PubChem CID44552144
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name2-benzyl-N-(4-methylphenyl)-3-oxo-1H-isoindole-1-carboxamide
SMILESCc1ccc(NC(=O)C2c3ccccc3C(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C23H20N2O2/c1-16-11-13-18(14-12-16)24-22(26)21-19-9-5-6-10-20(19)23(27)25(21)15-17-7-3-2-4-8-17/h2-14,21H,15H2,1H3,(H,24,26)
InChIKeyULLUPCCTUWBWRR-UHFFFAOYSA-N
XLogP4.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-benzyl-N-(4-methylphenyl)-3-oxo-1H-isoindole-1-carboxamide 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 2-benzyl-N-(4-methylphenyl)-3-oxo-1H-isoindole-1-carboxamide?
The IUPAC name of 2-benzyl-N-(4-methylphenyl)-3-oxo-1H-isoindole-1-carboxamide (CID 44552144) is 2-benzyl-N-(4-methylphenyl)-3-oxo-1H-isoindole-1-carboxamide.
What is the SMILES notation for 2-benzyl-N-(4-methylphenyl)-3-oxo-1H-isoindole-1-carboxamide?
The canonical SMILES for 2-benzyl-N-(4-methylphenyl)-3-oxo-1H-isoindole-1-carboxamide is Cc1ccc(NC(=O)C2c3ccccc3C(=O)N2Cc2ccccc2)cc1.
What is the InChIKey of 2-benzyl-N-(4-methylphenyl)-3-oxo-1H-isoindole-1-carboxamide?
The InChIKey is ULLUPCCTUWBWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-16-11-13-18(14-12-16)24-22(26)21-19-9-5-6-10-20(19)23(27)25(21)15-17-7-3-2-4-8-17/h2-14,21H,15H2,1H3,(H,24,26).
What are the key properties of 2-benzyl-N-(4-methylphenyl)-3-oxo-1H-isoindole-1-carboxamide?
2-benzyl-N-(4-methylphenyl)-3-oxo-1H-isoindole-1-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(4-methylphenyl)-3-oxo-1H-isoindole-1-carboxamide is sourced from PubChem (CID 44552144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).