2-(1,3-dioxoisoindol-2-yl)-N-(3-ethenylphenyl)acetamide

C18H14N2O3 — CID 2232863

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(3-ethenylphenyl)acetamide
SMILESC=Cc1cccc(NC(=O)CN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C18H14N2O3/c1-2-12-6-5-7-13(10-12)19-16(21)11-20-17(22)14-8-3-4-9-15(14)18(20)23/h2-10H,1,11H2,(H,19,21)
InChIKeyMQYZPMWNNJPQIA-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.56
Rot. Bonds4

About 2-(1,3-dioxoisoindol-2-yl)-N-(3-ethenylphenyl)acetamide

2-(1,3-dioxoisoindol-2-yl)-N-(3-ethenylphenyl)acetamide (PubChem CID 2232863) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(3-ethenylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(3-ethenylphenyl)acetamide
PubChem CID2232863
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(3-ethenylphenyl)acetamide
SMILESC=Cc1cccc(NC(=O)CN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C18H14N2O3/c1-2-12-6-5-7-13(10-12)19-16(21)11-20-17(22)14-8-3-4-9-15(14)18(20)23/h2-10H,1,11H2,(H,19,21)
InChIKeyMQYZPMWNNJPQIA-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 2640778
N-(3,5-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 2989674
5-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]benzene-1,3-dicarboxylic acid
CID 1248714
N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 719174
2-(1,3-dioxoisoindol-2-yl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide
CID 7483167
N-(2,3-dihydro-1H-inden-5-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 2634511
2-(1,3-dioxoisoindol-2-yl)-N-(9H-fluoren-2-yl)acetamide
CID 24637025
4-(1,3-dioxoisoindol-2-yl)-3-oxo-N-phenylbutanamide
CID 154148523
2-(1,3-dioxoisoindol-2-yl)-N-[4-(ethylamino)phenyl]acetamide
CID 23824241
N-(4-tert-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7658806
N-(2,6-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 710877
2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 8874197

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(3-ethenylphenyl)acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(3-ethenylphenyl)acetamide (CID 2232863) is 2-(1,3-dioxoisoindol-2-yl)-N-(3-ethenylphenyl)acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(3-ethenylphenyl)acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(3-ethenylphenyl)acetamide is C=Cc1cccc(NC(=O)CN2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(3-ethenylphenyl)acetamide?
The InChIKey is MQYZPMWNNJPQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c1-2-12-6-5-7-13(10-12)19-16(21)11-20-17(22)14-8-3-4-9-15(14)18(20)23/h2-10H,1,11H2,(H,19,21).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(3-ethenylphenyl)acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-(3-ethenylphenyl)acetamide has a molecular weight of 306.32 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(3-ethenylphenyl)acetamide is sourced from PubChem (CID 2232863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).