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

C23H20N2O3 — CID 15990962

IUPAC2-(4-methoxyphenyl)-N-(4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide
SMILESCOc1ccc(N2Cc3cccc(C(=O)Nc4ccc(C)cc4)c3C2=O)cc1
InChIInChI=1S/C23H20N2O3/c1-15-6-8-17(9-7-15)24-22(26)20-5-3-4-16-14-25(23(27)21(16)20)18-10-12-19(28-2)13-11-18/h3-13H,14H2,1-2H3,(H,24,26)
InChIKeyQTGBCRGRYFEBOV-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.42
Rot. Bonds4

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

2-(4-methoxyphenyl)-N-(4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide (PubChem CID 15990962) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide
PubChem CID15990962
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name2-(4-methoxyphenyl)-N-(4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide
SMILESCOc1ccc(N2Cc3cccc(C(=O)Nc4ccc(C)cc4)c3C2=O)cc1
InChIInChI=1S/C23H20N2O3/c1-15-6-8-17(9-7-15)24-22(26)20-5-3-4-16-14-25(23(27)21(16)20)18-10-12-19(28-2)13-11-18/h3-13H,14H2,1-2H3,(H,24,26)
InChIKeyQTGBCRGRYFEBOV-UHFFFAOYSA-N
XLogP4.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-(4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide (CID 15990962) is 2-(4-methoxyphenyl)-N-(4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide is COc1ccc(N2Cc3cccc(C(=O)Nc4ccc(C)cc4)c3C2=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide?
The InChIKey is QTGBCRGRYFEBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-15-6-8-17(9-7-15)24-22(26)20-5-3-4-16-14-25(23(27)21(16)20)18-10-12-19(28-2)13-11-18/h3-13H,14H2,1-2H3,(H,24,26).
What are the key properties of 2-(4-methoxyphenyl)-N-(4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide?
2-(4-methoxyphenyl)-N-(4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide has a molecular weight of 372.42 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide is sourced from PubChem (CID 15990962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).