N-(1,3-dioxoisoindol-5-yl)-2-ethoxybenzamide

C17H14N2O4 — CID 976552

IUPACN-(1,3-dioxoisoindol-5-yl)-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C17H14N2O4/c1-2-23-14-6-4-3-5-12(14)16(21)18-10-7-8-11-13(9-10)17(22)19-15(11)20/h3-9H,2H2,1H3,(H,18,21)(H,19,20,22)
InChIKeyVQLCNCWYYOIFRO-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.22
Rot. Bonds4

About N-(1,3-dioxoisoindol-5-yl)-2-ethoxybenzamide

N-(1,3-dioxoisoindol-5-yl)-2-ethoxybenzamide (PubChem CID 976552) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-5-yl)-2-ethoxybenzamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-5-yl)-2-ethoxybenzamide
PubChem CID976552
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC NameN-(1,3-dioxoisoindol-5-yl)-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C17H14N2O4/c1-2-23-14-6-4-3-5-12(14)16(21)18-10-7-8-11-13(9-10)17(22)19-15(11)20/h3-9H,2H2,1H3,(H,18,21)(H,19,20,22)
InChIKeyVQLCNCWYYOIFRO-UHFFFAOYSA-N
XLogP2.22
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.22
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-(1,3-dioxoisoindol-5-yl)-2-ethoxybenzamide?
The IUPAC name of N-(1,3-dioxoisoindol-5-yl)-2-ethoxybenzamide (CID 976552) is N-(1,3-dioxoisoindol-5-yl)-2-ethoxybenzamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-5-yl)-2-ethoxybenzamide?
The canonical SMILES for N-(1,3-dioxoisoindol-5-yl)-2-ethoxybenzamide is CCOc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)NC2=O.
What is the InChIKey of N-(1,3-dioxoisoindol-5-yl)-2-ethoxybenzamide?
The InChIKey is VQLCNCWYYOIFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-2-23-14-6-4-3-5-12(14)16(21)18-10-7-8-11-13(9-10)17(22)19-15(11)20/h3-9H,2H2,1H3,(H,18,21)(H,19,20,22).
What are the key properties of N-(1,3-dioxoisoindol-5-yl)-2-ethoxybenzamide?
N-(1,3-dioxoisoindol-5-yl)-2-ethoxybenzamide has a molecular weight of 310.31 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-5-yl)-2-ethoxybenzamide is sourced from PubChem (CID 976552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).