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

C17H15N3O3 — CID 820980

IUPAC4-(dimethylamino)-N-(1,3-dioxoisoindol-2-yl)benzamide
SMILESCN(C)c1ccc(C(=O)NN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C17H15N3O3/c1-19(2)12-9-7-11(8-10-12)15(21)18-20-16(22)13-5-3-4-6-14(13)17(20)23/h3-10H,1-2H3,(H,18,21)
InChIKeyXLSZVXKBJCLWJZ-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.69
Rot. Bonds3

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

4-(dimethylamino)-N-(1,3-dioxoisoindol-2-yl)benzamide (PubChem CID 820980) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 4-(dimethylamino)-N-(1,3-dioxoisoindol-2-yl)benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-(1,3-dioxoisoindol-2-yl)benzamide
PubChem CID820980
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name4-(dimethylamino)-N-(1,3-dioxoisoindol-2-yl)benzamide
SMILESCN(C)c1ccc(C(=O)NN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C17H15N3O3/c1-19(2)12-9-7-11(8-10-12)15(21)18-20-16(22)13-5-3-4-6-14(13)17(20)23/h3-10H,1-2H3,(H,18,21)
InChIKeyXLSZVXKBJCLWJZ-UHFFFAOYSA-N
XLogP1.69
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
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 4-(dimethylamino)-N-(1,3-dioxoisoindol-2-yl)benzamide?
The IUPAC name of 4-(dimethylamino)-N-(1,3-dioxoisoindol-2-yl)benzamide (CID 820980) is 4-(dimethylamino)-N-(1,3-dioxoisoindol-2-yl)benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-(1,3-dioxoisoindol-2-yl)benzamide?
The canonical SMILES for 4-(dimethylamino)-N-(1,3-dioxoisoindol-2-yl)benzamide is CN(C)c1ccc(C(=O)NN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 4-(dimethylamino)-N-(1,3-dioxoisoindol-2-yl)benzamide?
The InChIKey is XLSZVXKBJCLWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-19(2)12-9-7-11(8-10-12)15(21)18-20-16(22)13-5-3-4-6-14(13)17(20)23/h3-10H,1-2H3,(H,18,21).
What are the key properties of 4-(dimethylamino)-N-(1,3-dioxoisoindol-2-yl)benzamide?
4-(dimethylamino)-N-(1,3-dioxoisoindol-2-yl)benzamide has a molecular weight of 309.33 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-(1,3-dioxoisoindol-2-yl)benzamide is sourced from PubChem (CID 820980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).