4-(1,3-dioxoisoindol-2-yl)-N-prop-2-enylbenzamide

C18H14N2O3 — CID 2254820

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C18H14N2O3/c1-2-11-19-16(21)12-7-9-13(10-8-12)20-17(22)14-5-3-4-6-15(14)18(20)23/h2-10H,1,11H2,(H,19,21)
InChIKeySSLQAABPGYXSIH-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.40
Rot. Bonds4

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

4-(1,3-dioxoisoindol-2-yl)-N-prop-2-enylbenzamide (PubChem CID 2254820) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-prop-2-enylbenzamide
PubChem CID2254820
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C18H14N2O3/c1-2-11-19-16(21)12-7-9-13(10-8-12)20-17(22)14-5-3-4-6-15(14)18(20)23/h2-10H,1,11H2,(H,19,21)
InChIKeySSLQAABPGYXSIH-UHFFFAOYSA-N
XLogP2.40
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-dioxoisoindol-2-yl)-N-prop-2-enylbenzamide
CID 19177512
4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide
CID 17234242
N-prop-2-enyl-4-[4-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 3714314
2-(3,4-dichlorophenyl)-1,3-dioxo-N-prop-2-enylisoindole-5-carboxamide
CID 9399486
4-(1,3-dioxoisoindol-2-yl)-N-[(2-fluorophenyl)methyl]benzamide
CID 8870691
9,10-dioxo-N-prop-2-enylanthracene-2-carboxamide
CID 122602735
4-(1,3-dioxoisoindol-2-yl)-N-(2-piperidin-1-ylethyl)benzamide
CID 168519610
4-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)benzamide
CID 1068099
2-methyl-1,3-dioxo-N-prop-2-enylisoindole-5-carboxamide
CID 46679809
4-[[4-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzamide
CID 1162393
[2-oxo-2-(prop-2-enylamino)ethyl] 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)benzoate
CID 2593572
4-(1,3-dioxoisoindol-2-yl)-N-(4-ethylphenyl)benzamide
CID 1188829

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-prop-2-enylbenzamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-prop-2-enylbenzamide (CID 2254820) is 4-(1,3-dioxoisoindol-2-yl)-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-prop-2-enylbenzamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-prop-2-enylbenzamide?
The InChIKey is SSLQAABPGYXSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c1-2-11-19-16(21)12-7-9-13(10-8-12)20-17(22)14-5-3-4-6-15(14)18(20)23/h2-10H,1,11H2,(H,19,21).
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-prop-2-enylbenzamide?
4-(1,3-dioxoisoindol-2-yl)-N-prop-2-enylbenzamide has a molecular weight of 306.32 g/mol, XLogP of 2.40, 4 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-prop-2-enylbenzamide is sourced from PubChem (CID 2254820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).