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'}

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Related Compounds

2-(4-Methoxyphenyl)-1H-isoindole-1,3(2H)-dione
CID 250687
Amphotalide
CID 71806
(4S)-4-amino-5-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(4-phenoxyphenyl)pentanamide
CID 24901643
4-[[[2-(4-methoxyphenyl)-3-oxo-1H-isoindol-4-yl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester
CID 5307705
2-(3-fluorophenyl)-1,3-dioxo-N-[3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]isoindole-5-carboxamide
CID 10506729
2-(4-methylphenyl)-1,3-dioxo-N-[3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]isoindole-5-carboxamide
CID 10530491
2-(4-hydroxyphenyl)-1,3-dioxo-N-[3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]isoindole-5-carboxamide
CID 10674055
2-[4-(dimethylamino)phenyl]-1,3-dioxo-N-[3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]isoindole-5-carboxamide
CID 10674564
2-(4-hydroxyphenyl)-N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-1,3-dioxoisoindole-5-carboxamide
CID 10721568
N-(4-methoxyphenyl)naphthalene-2-carboxamide
CID 826829
2-(4-ethoxyphenyl)-1H-isoindole-1,3(2H)-dione
CID 709445
N-(4-methoxyphenyl)naphthalene-1-carboxamide
CID 532201

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).