2-[2-(1,3-dihydro-2-benzofuran-5-ylamino)ethyl]isoindole-1,3-dione

C18H16N2O3 — CID 86793063

IUPAC2-[2-(1,3-dihydro-2-benzofuran-5-ylamino)ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCNc1ccc2c(c1)COC2
InChIInChI=1S/C18H16N2O3/c21-17-15-3-1-2-4-16(15)18(22)20(17)8-7-19-14-6-5-12-10-23-11-13(12)9-14/h1-6,9,19H,7-8,10-11H2
InChIKeyLZNGEIFIHDMMDZ-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.42
Rot. Bonds4

About 2-[2-(1,3-dihydro-2-benzofuran-5-ylamino)ethyl]isoindole-1,3-dione

2-[2-(1,3-dihydro-2-benzofuran-5-ylamino)ethyl]isoindole-1,3-dione (PubChem CID 86793063) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-[2-(1,3-dihydro-2-benzofuran-5-ylamino)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(1,3-dihydro-2-benzofuran-5-ylamino)ethyl]isoindole-1,3-dione
PubChem CID86793063
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name2-[2-(1,3-dihydro-2-benzofuran-5-ylamino)ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCNc1ccc2c(c1)COC2
InChIInChI=1S/C18H16N2O3/c21-17-15-3-1-2-4-16(15)18(22)20(17)8-7-19-14-6-5-12-10-23-11-13(12)9-14/h1-6,9,19H,7-8,10-11H2
InChIKeyLZNGEIFIHDMMDZ-UHFFFAOYSA-N
XLogP2.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]ethyl]isoindole-1,3-dione
CID 75478267
2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethylamino]ethylamino]ethyl]isoindole-1,3-dione
CID 3090844
2-[2-(2-phenylanilino)ethyl]isoindole-1,3-dione
CID 23827824
2-[2-(2-aminoanilino)ethyl]isoindole-1,3-dione
CID 54544953
N-(2,3-dihydro-1H-inden-5-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 2634511
2-[2-[4-nitro-3-[4-(4-nitrocyclohexa-1,3-dien-1-yl)piperidin-1-yl]anilino]ethyl]isoindole-1,3-dione
CID 153113817
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-[2-(2-hydroxyethylamino)ethyl]isoindole-1,3-dione
CID 39733476
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113081978
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 108874898
2-[(3-chloro-4-fluoroanilino)methyl]isoindole-1,3-dione
CID 692659
2-(1,3-dioxoisoindol-2-yl)-N-(9H-fluoren-2-yl)acetamide
CID 24637025

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-dihydro-2-benzofuran-5-ylamino)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(1,3-dihydro-2-benzofuran-5-ylamino)ethyl]isoindole-1,3-dione (CID 86793063) is 2-[2-(1,3-dihydro-2-benzofuran-5-ylamino)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(1,3-dihydro-2-benzofuran-5-ylamino)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(1,3-dihydro-2-benzofuran-5-ylamino)ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCNc1ccc2c(c1)COC2.
What is the InChIKey of 2-[2-(1,3-dihydro-2-benzofuran-5-ylamino)ethyl]isoindole-1,3-dione?
The InChIKey is LZNGEIFIHDMMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c21-17-15-3-1-2-4-16(15)18(22)20(17)8-7-19-14-6-5-12-10-23-11-13(12)9-14/h1-6,9,19H,7-8,10-11H2.
What are the key properties of 2-[2-(1,3-dihydro-2-benzofuran-5-ylamino)ethyl]isoindole-1,3-dione?
2-[2-(1,3-dihydro-2-benzofuran-5-ylamino)ethyl]isoindole-1,3-dione has a molecular weight of 308.34 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-dihydro-2-benzofuran-5-ylamino)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 86793063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).