N-(1,3-benzodioxol-5-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide

C22H14N2O5 — CID 1188836

IUPACN-(1,3-benzodioxol-5-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C22H14N2O5/c25-20(23-14-7-10-18-19(11-14)29-12-28-18)13-5-8-15(9-6-13)24-21(26)16-3-1-2-4-17(16)22(24)27/h1-11H,12H2,(H,23,25)
InChIKeyGTXCYEVEHKIJKA-UHFFFAOYSA-N
MW386.36 g/mol
LogP3.47
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide

N-(1,3-benzodioxol-5-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide (PubChem CID 1188836) has the molecular formula C22H14N2O5 and a molecular weight of 386.36 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide
PubChem CID1188836
Molecular FormulaC22H14N2O5
Molecular Weight386.36 g/mol
Exact Mass386.09
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C22H14N2O5/c25-20(23-14-7-10-18-19(11-14)29-12-28-18)13-5-8-15(9-6-13)24-21(26)16-3-1-2-4-17(16)22(24)27/h1-11H,12H2,(H,23,25)
InChIKeyGTXCYEVEHKIJKA-UHFFFAOYSA-N
XLogP3.47
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-benzodioxol-5-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide (CID 1188836) is N-(1,3-benzodioxol-5-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide is O=C(Nc1ccc2c(c1)OCO2)c1ccc(N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide?
The InChIKey is GTXCYEVEHKIJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2O5/c25-20(23-14-7-10-18-19(11-14)29-12-28-18)13-5-8-15(9-6-13)24-21(26)16-3-1-2-4-17(16)22(24)27/h1-11H,12H2,(H,23,25).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide?
N-(1,3-benzodioxol-5-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide has a molecular weight of 386.36 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide is sourced from PubChem (CID 1188836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).