N-(4-acetamidophenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide

C24H19N3O4 — CID 1350777

IUPACN-(4-acetamidophenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2C)C3=O)cc1
InChIInChI=1S/C24H19N3O4/c1-14-5-3-4-6-21(14)27-23(30)19-12-7-16(13-20(19)24(27)31)22(29)26-18-10-8-17(9-11-18)25-15(2)28/h3-13H,1-2H3,(H,25,28)(H,26,29)
InChIKeyKBNRCJVDAMIQAS-UHFFFAOYSA-N
MW413.43 g/mol
LogP4.01
Rot. Bonds4

About N-(4-acetamidophenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide

N-(4-acetamidophenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 1350777) has the molecular formula C24H19N3O4 and a molecular weight of 413.43 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID1350777
Molecular FormulaC24H19N3O4
Molecular Weight413.43 g/mol
Exact Mass413.14
IUPAC NameN-(4-acetamidophenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2C)C3=O)cc1
InChIInChI=1S/C24H19N3O4/c1-14-5-3-4-6-21(14)27-23(30)19-12-7-16(13-20(19)24(27)31)22(29)26-18-10-8-17(9-11-18)25-15(2)28/h3-13H,1-2H3,(H,25,28)(H,26,29)
InChIKeyKBNRCJVDAMIQAS-UHFFFAOYSA-N
XLogP4.01
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide (CID 1350777) is N-(4-acetamidophenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide is CC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2C)C3=O)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is KBNRCJVDAMIQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O4/c1-14-5-3-4-6-21(14)27-23(30)19-12-7-16(13-20(19)24(27)31)22(29)26-18-10-8-17(9-11-18)25-15(2)28/h3-13H,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N-(4-acetamidophenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide?
N-(4-acetamidophenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 413.43 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 1350777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).