N-dibenzofuran-2-yl-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide

C24H16N2O4 — CID 16552295

IUPACN-dibenzofuran-2-yl-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide
SMILESC=CCN1C(=O)c2ccc(C(=O)Nc3ccc4oc5ccccc5c4c3)cc2C1=O
InChIInChI=1S/C24H16N2O4/c1-2-11-26-23(28)17-9-7-14(12-19(17)24(26)29)22(27)25-15-8-10-21-18(13-15)16-5-3-4-6-20(16)30-21/h2-10,12-13H,1,11H2,(H,25,27)
InChIKeyVUSLOWBBHUSCPE-UHFFFAOYSA-N
MW396.40 g/mol
LogP4.62
Rot. Bonds4

About N-dibenzofuran-2-yl-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide

N-dibenzofuran-2-yl-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide (PubChem CID 16552295) has the molecular formula C24H16N2O4 and a molecular weight of 396.40 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide
PubChem CID16552295
Molecular FormulaC24H16N2O4
Molecular Weight396.40 g/mol
Exact Mass396.11
IUPAC NameN-dibenzofuran-2-yl-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide
SMILESC=CCN1C(=O)c2ccc(C(=O)Nc3ccc4oc5ccccc5c4c3)cc2C1=O
InChIInChI=1S/C24H16N2O4/c1-2-11-26-23(28)17-9-7-14(12-19(17)24(26)29)22(27)25-15-8-10-21-18(13-15)16-5-3-4-6-20(16)30-21/h2-10,12-13H,1,11H2,(H,25,27)
InChIKeyVUSLOWBBHUSCPE-UHFFFAOYSA-N
XLogP4.62
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluorophenyl)-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide
CID 4825553
1,3-dioxo-N-(3-propan-2-ylphenyl)-2-prop-2-enylisoindole-5-carboxamide
CID 9226822
N-(3,4-dimethylphenyl)dibenzofuran-2-carboxamide
CID 18876126
N-dibenzofuran-2-yl-3-iodobenzamide
CID 16552353
N-dibenzofuran-3-yl-4-phenylbenzamide
CID 3125062
N-(2,4-dimethylphenyl)-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide
CID 4825497
N-dibenzofuran-2-yl-4-methylsulfonylbenzamide
CID 18081219
N-(4-fluoro-2-methylphenyl)-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide
CID 9426235
N-(4-methyl-1,3-thiazol-2-yl)-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide
CID 9095875
1,3-dioxo-N-(oxolan-2-ylmethyl)-2-prop-2-enylisoindole-5-carboxamide
CID 18083848
N-dibenzofuran-2-yl-3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 24667542
N-(3,4-dimethoxyphenyl)-2-oxo-3-prop-2-enyl-1,3-benzoxazole-5-carboxamide
CID 53084910

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide?
The IUPAC name of N-dibenzofuran-2-yl-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide (CID 16552295) is N-dibenzofuran-2-yl-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide.
What is the SMILES notation for N-dibenzofuran-2-yl-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide?
The canonical SMILES for N-dibenzofuran-2-yl-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide is C=CCN1C(=O)c2ccc(C(=O)Nc3ccc4oc5ccccc5c4c3)cc2C1=O.
What is the InChIKey of N-dibenzofuran-2-yl-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide?
The InChIKey is VUSLOWBBHUSCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2O4/c1-2-11-26-23(28)17-9-7-14(12-19(17)24(26)29)22(27)25-15-8-10-21-18(13-15)16-5-3-4-6-20(16)30-21/h2-10,12-13H,1,11H2,(H,25,27).
What are the key properties of N-dibenzofuran-2-yl-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide?
N-dibenzofuran-2-yl-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide has a molecular weight of 396.40 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-2-yl-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide is sourced from PubChem (CID 16552295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).