N-(1,3-dioxoisoindol-2-yl)-3-[[2-(2-methoxyphenyl)acetyl]amino]benzamide

C24H19N3O5 — CID 1230941

IUPACN-(1,3-dioxoisoindol-2-yl)-3-[[2-(2-methoxyphenyl)acetyl]amino]benzamide
SMILESCOc1ccccc1CC(=O)Nc1cccc(C(=O)NN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C24H19N3O5/c1-32-20-12-5-2-7-15(20)14-21(28)25-17-9-6-8-16(13-17)22(29)26-27-23(30)18-10-3-4-11-19(18)24(27)31/h2-13H,14H2,1H3,(H,25,28)(H,26,29)
InChIKeyHJXSCZUODYACBF-UHFFFAOYSA-N
MW429.43 g/mol
LogP2.82
Rot. Bonds6

About N-(1,3-dioxoisoindol-2-yl)-3-[[2-(2-methoxyphenyl)acetyl]amino]benzamide

N-(1,3-dioxoisoindol-2-yl)-3-[[2-(2-methoxyphenyl)acetyl]amino]benzamide (PubChem CID 1230941) has the molecular formula C24H19N3O5 and a molecular weight of 429.43 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-2-yl)-3-[[2-(2-methoxyphenyl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-2-yl)-3-[[2-(2-methoxyphenyl)acetyl]amino]benzamide
PubChem CID1230941
Molecular FormulaC24H19N3O5
Molecular Weight429.43 g/mol
Exact Mass429.13
IUPAC NameN-(1,3-dioxoisoindol-2-yl)-3-[[2-(2-methoxyphenyl)acetyl]amino]benzamide
SMILESCOc1ccccc1CC(=O)Nc1cccc(C(=O)NN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C24H19N3O5/c1-32-20-12-5-2-7-15(20)14-21(28)25-17-9-6-8-16(13-17)22(29)26-27-23(30)18-10-3-4-11-19(18)24(27)31/h2-13H,14H2,1H3,(H,25,28)(H,26,29)
InChIKeyHJXSCZUODYACBF-UHFFFAOYSA-N
XLogP2.82
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.43
LogP ≤ 52.82
H-Bond Donors ≤ 52
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-dioxoisoindol-2-yl)-3-[[2-(2-methoxyphenyl)acetyl]amino]benzamide?
The IUPAC name of N-(1,3-dioxoisoindol-2-yl)-3-[[2-(2-methoxyphenyl)acetyl]amino]benzamide (CID 1230941) is N-(1,3-dioxoisoindol-2-yl)-3-[[2-(2-methoxyphenyl)acetyl]amino]benzamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-2-yl)-3-[[2-(2-methoxyphenyl)acetyl]amino]benzamide?
The canonical SMILES for N-(1,3-dioxoisoindol-2-yl)-3-[[2-(2-methoxyphenyl)acetyl]amino]benzamide is COc1ccccc1CC(=O)Nc1cccc(C(=O)NN2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of N-(1,3-dioxoisoindol-2-yl)-3-[[2-(2-methoxyphenyl)acetyl]amino]benzamide?
The InChIKey is HJXSCZUODYACBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O5/c1-32-20-12-5-2-7-15(20)14-21(28)25-17-9-6-8-16(13-17)22(29)26-27-23(30)18-10-3-4-11-19(18)24(27)31/h2-13H,14H2,1H3,(H,25,28)(H,26,29).
What are the key properties of N-(1,3-dioxoisoindol-2-yl)-3-[[2-(2-methoxyphenyl)acetyl]amino]benzamide?
N-(1,3-dioxoisoindol-2-yl)-3-[[2-(2-methoxyphenyl)acetyl]amino]benzamide has a molecular weight of 429.43 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-2-yl)-3-[[2-(2-methoxyphenyl)acetyl]amino]benzamide is sourced from PubChem (CID 1230941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).