4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide

C17H14N2O3 — CID 17234242

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C17H14N2O3/c1-2-18-15(20)11-7-9-12(10-8-11)19-16(21)13-5-3-4-6-14(13)17(19)22/h3-10H,2H2,1H3,(H,18,20)
InChIKeyGPYDXCGEHOJRCV-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.24
Rot. Bonds3

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

4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide (PubChem CID 17234242) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide
PubChem CID17234242
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C17H14N2O3/c1-2-18-15(20)11-7-9-12(10-8-11)19-16(21)13-5-3-4-6-14(13)17(19)22/h3-10H,2H2,1H3,(H,18,20)
InChIKeyGPYDXCGEHOJRCV-UHFFFAOYSA-N
XLogP2.24
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1,3-dioxoisoindol-2-yl)-N-prop-2-enylbenzamide
CID 2254820
2-chloro-4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide
CID 168516613
4-(1,3-dioxoisoindol-2-yl)-N-[(2-fluorophenyl)methyl]benzamide
CID 8870691
4-(1,3-dioxoisoindol-2-yl)-N-(4-ethylphenyl)benzamide
CID 1188829
4-(1,3-dioxoisoindol-2-yl)-N-(2-piperidin-1-ylethyl)benzamide
CID 168519610
2-[4-(ethylaminomethyl)phenyl]isoindole-1,3-dione
CID 106913246
N-ethylbenzamide
CID 160772566
4-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N,N-dimethylbenzamide
CID 168516849
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
CID 632686
methyl 4-[[4-(1,3-dioxoisoindol-2-yl)phenyl]carbamoyl]benzoate
CID 998530
N-ethylbenzamide;hydrochloride
CID 57444995
4-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)benzamide
CID 1068099

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide (CID 17234242) is 4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide is CCNC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide?
The InChIKey is GPYDXCGEHOJRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-2-18-15(20)11-7-9-12(10-8-11)19-16(21)13-5-3-4-6-14(13)17(19)22/h3-10H,2H2,1H3,(H,18,20).
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide?
4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide has a molecular weight of 294.31 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide is sourced from PubChem (CID 17234242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).