N-(4-ethoxyphenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide

C23H18N2O4 — CID 1327502

IUPACN-(4-ethoxyphenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)cc1
InChIInChI=1S/C23H18N2O4/c1-2-29-18-11-9-16(10-12-18)24-21(26)15-8-13-19-20(14-15)23(28)25(22(19)27)17-6-4-3-5-7-17/h3-14H,2H2,1H3,(H,24,26)
InChIKeyBRYVVQRZFJXLGF-UHFFFAOYSA-N
MW386.41 g/mol
LogP4.14
Rot. Bonds5

About N-(4-ethoxyphenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide

N-(4-ethoxyphenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide (PubChem CID 1327502) has the molecular formula C23H18N2O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide
PubChem CID1327502
Molecular FormulaC23H18N2O4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC NameN-(4-ethoxyphenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)cc1
InChIInChI=1S/C23H18N2O4/c1-2-29-18-11-9-16(10-12-18)24-21(26)15-8-13-19-20(14-15)23(28)25(22(19)27)17-6-4-3-5-7-17/h3-14H,2H2,1H3,(H,24,26)
InChIKeyBRYVVQRZFJXLGF-UHFFFAOYSA-N
XLogP4.14
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-ethoxyphenyl)-1,3-dioxo-2-phenylisoindole-5-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 N-(4-ethoxyphenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide (CID 1327502) is N-(4-ethoxyphenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide is CCOc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide?
The InChIKey is BRYVVQRZFJXLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4/c1-2-29-18-11-9-16(10-12-18)24-21(26)15-8-13-19-20(14-15)23(28)25(22(19)27)17-6-4-3-5-7-17/h3-14H,2H2,1H3,(H,24,26).
What are the key properties of N-(4-ethoxyphenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide?
N-(4-ethoxyphenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide has a molecular weight of 386.41 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide is sourced from PubChem (CID 1327502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).