[2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate

C20H13NO6 — CID 8891276

IUPAC[2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
SMILESO=C(CN1C(=O)c2ccccc2C1=O)OCC(=O)c1cc2ccccc2o1
InChIInChI=1S/C20H13NO6/c22-15(17-9-12-5-1-4-8-16(12)27-17)11-26-18(23)10-21-19(24)13-6-2-3-7-14(13)20(21)25/h1-9H,10-11H2
InChIKeyIMKFMAZUNMAWGH-UHFFFAOYSA-N
MW363.33 g/mol
LogP2.45
Rot. Bonds5

About [2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate

[2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate (PubChem CID 8891276) has the molecular formula C20H13NO6 and a molecular weight of 363.33 g/mol. Its IUPAC name is [2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate.

Molecular Properties

Compound Name[2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
PubChem CID8891276
Molecular FormulaC20H13NO6
Molecular Weight363.33 g/mol
Exact Mass363.07
IUPAC Name[2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
SMILESO=C(CN1C(=O)c2ccccc2C1=O)OCC(=O)c1cc2ccccc2o1
InChIInChI=1S/C20H13NO6/c22-15(17-9-12-5-1-4-8-16(12)27-17)11-26-18(23)10-21-19(24)13-6-2-3-7-14(13)20(21)25/h1-9H,10-11H2
InChIKeyIMKFMAZUNMAWGH-UHFFFAOYSA-N
XLogP2.45
TPSA93.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.33
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
CID 7165108
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 4538442
[2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 4239088
[2-(1-benzofuran-2-yl)-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 8726558
[2-(1-benzofuran-2-yl)-2-oxoethyl] 4-phenylbenzoate
CID 23995291
[2-(1-benzofuran-2-yl)-2-oxoethyl] 4-methylbenzoate
CID 7972415
1-(1-benzofuran-2-yl)-2-ethoxyethanone
CID 43799572
[2-(1-benzofuran-2-yl)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 2346729
[2-(1-benzofuran-2-yl)-2-oxoethyl] 3,4,5-trihydroxybenzoate
CID 23965063
[2-(1-benzofuran-2-yl)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 2532000
[2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7815189
3-amino-1-(1-benzofuran-2-yl)propan-1-one
CID 82275110

Frequently Asked Questions

What is the IUPAC name of [2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
The IUPAC name of [2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate (CID 8891276) is [2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate.
What is the SMILES notation for [2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
The canonical SMILES for [2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate is O=C(CN1C(=O)c2ccccc2C1=O)OCC(=O)c1cc2ccccc2o1.
What is the InChIKey of [2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
The InChIKey is IMKFMAZUNMAWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO6/c22-15(17-9-12-5-1-4-8-16(12)27-17)11-26-18(23)10-21-19(24)13-6-2-3-7-14(13)20(21)25/h1-9H,10-11H2.
What are the key properties of [2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
[2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate has a molecular weight of 363.33 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate is sourced from PubChem (CID 8891276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).