2-[(2-ethyl-1-benzofuran-3-yl)methylideneamino]isoindole-1,3-dione

C19H14N2O3 — CID 23376129

IUPAC2-[(2-ethyl-1-benzofuran-3-yl)methylideneamino]isoindole-1,3-dione
SMILESCCc1oc2ccccc2c1C=NN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H14N2O3/c1-2-16-15(12-7-5-6-10-17(12)24-16)11-20-21-18(22)13-8-3-4-9-14(13)19(21)23/h3-11H,2H2,1H3
InChIKeyKDMIPXUQFWBTFO-UHFFFAOYSA-N
MW318.33 g/mol
LogP3.63
Rot. Bonds3

About 2-[(2-ethyl-1-benzofuran-3-yl)methylideneamino]isoindole-1,3-dione

2-[(2-ethyl-1-benzofuran-3-yl)methylideneamino]isoindole-1,3-dione (PubChem CID 23376129) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is 2-[(2-ethyl-1-benzofuran-3-yl)methylideneamino]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2-ethyl-1-benzofuran-3-yl)methylideneamino]isoindole-1,3-dione
PubChem CID23376129
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC Name2-[(2-ethyl-1-benzofuran-3-yl)methylideneamino]isoindole-1,3-dione
SMILESCCc1oc2ccccc2c1C=NN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H14N2O3/c1-2-16-15(12-7-5-6-10-17(12)24-16)11-20-21-18(22)13-8-3-4-9-14(13)19(21)23/h3-11H,2H2,1H3
InChIKeyKDMIPXUQFWBTFO-UHFFFAOYSA-N
XLogP3.63
TPSA62.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[(2-ethyl-1-benzofuran-3-yl)methylidene]hydroxylamine
CID 57355898
2-(anthracen-9-ylmethylideneamino)isoindole-1,3-dione
CID 2305885
N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-4-methylaniline
CID 8825966
2-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]isoindole-1,3-dione
CID 5404063
N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]acetamide
CID 8826088
2-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]guanidine
CID 8825933
3-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one
CID 8826298
2-[[4-[(1,3-dioxoisoindol-2-yl)iminomethyl]phenyl]methylideneamino]isoindole-1,3-dione
CID 1098364
2-[(Z)-[4-[(Z)-(1,3-dioxoisoindol-2-yl)iminomethyl]phenyl]methylideneamino]isoindole-1,3-dione
CID 5440307
N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-4-fluorobenzamide
CID 8825899
(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enamide
CID 47120041
N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-2-nitroaniline
CID 8825958

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-1-benzofuran-3-yl)methylideneamino]isoindole-1,3-dione?
The IUPAC name of 2-[(2-ethyl-1-benzofuran-3-yl)methylideneamino]isoindole-1,3-dione (CID 23376129) is 2-[(2-ethyl-1-benzofuran-3-yl)methylideneamino]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2-ethyl-1-benzofuran-3-yl)methylideneamino]isoindole-1,3-dione?
The canonical SMILES for 2-[(2-ethyl-1-benzofuran-3-yl)methylideneamino]isoindole-1,3-dione is CCc1oc2ccccc2c1C=NN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[(2-ethyl-1-benzofuran-3-yl)methylideneamino]isoindole-1,3-dione?
The InChIKey is KDMIPXUQFWBTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3/c1-2-16-15(12-7-5-6-10-17(12)24-16)11-20-21-18(22)13-8-3-4-9-14(13)19(21)23/h3-11H,2H2,1H3.
What are the key properties of 2-[(2-ethyl-1-benzofuran-3-yl)methylideneamino]isoindole-1,3-dione?
2-[(2-ethyl-1-benzofuran-3-yl)methylideneamino]isoindole-1,3-dione has a molecular weight of 318.33 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-1-benzofuran-3-yl)methylideneamino]isoindole-1,3-dione is sourced from PubChem (CID 23376129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).