5-[(5-iodofuran-2-yl)methylamino]-2-methylisoindole-1,3-dione

C14H11IN2O3 — CID 43759033

IUPAC5-[(5-iodofuran-2-yl)methylamino]-2-methylisoindole-1,3-dione
SMILESCN1C(=O)c2ccc(NCc3ccc(I)o3)cc2C1=O
InChIInChI=1S/C14H11IN2O3/c1-17-13(18)10-4-2-8(6-11(10)14(17)19)16-7-9-3-5-12(15)20-9/h2-6,16H,7H2,1H3
InChIKeyKUOVIPKUMHMUEO-UHFFFAOYSA-N
MW382.16 g/mol
LogP2.72
Rot. Bonds3

About 5-[(5-iodofuran-2-yl)methylamino]-2-methylisoindole-1,3-dione

5-[(5-iodofuran-2-yl)methylamino]-2-methylisoindole-1,3-dione (PubChem CID 43759033) has the molecular formula C14H11IN2O3 and a molecular weight of 382.16 g/mol. Its IUPAC name is 5-[(5-iodofuran-2-yl)methylamino]-2-methylisoindole-1,3-dione.

Molecular Properties

Compound Name5-[(5-iodofuran-2-yl)methylamino]-2-methylisoindole-1,3-dione
PubChem CID43759033
Molecular FormulaC14H11IN2O3
Molecular Weight382.16 g/mol
Exact Mass381.98
IUPAC Name5-[(5-iodofuran-2-yl)methylamino]-2-methylisoindole-1,3-dione
SMILESCN1C(=O)c2ccc(NCc3ccc(I)o3)cc2C1=O
InChIInChI=1S/C14H11IN2O3/c1-17-13(18)10-4-2-8(6-11(10)14(17)19)16-7-9-3-5-12(15)20-9/h2-6,16H,7H2,1H3
InChIKeyKUOVIPKUMHMUEO-UHFFFAOYSA-N
XLogP2.72
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.16
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 2360409
1-(furan-2-ylmethyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2815709
1-(2,3-dimethylphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 4794237
N-[2,3-Dihydro-2-(2-methylpropyl)-1,3-dioxo-1H-isoindol-5-yl]-2-furancarboxamide
CID 804732
3-[(2-ethyl-1-oxobutyl)amino]-N-(2-furanylmethyl)benzamide
CID 974087
N-[1,3-dioxo-2-(tetrahydro-2-furanylmethyl)-2,3-dihydro-1H-isoindol-5-yl]-2-phenoxyacetamide
CID 2936153
2-(2-Furylmethyl)-3-{[3-(trifluoromethyl)phenyl]amino}isoindolin-1-one
CID 3237168
N-(3-acetylphenyl)-2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 4963825
3-(2-ethylanilino)-2-(furan-2-ylmethyl)-3H-isoindol-1-one
CID 5307823
N-(4-ethylphenyl)-2-(2-furanylmethyl)-1,3-dioxo-5-isoindolecarboxamide
CID 5308395
N-(furan-2-ylmethyl)-N'-[4-(propan-2-yl)phenyl]butanediamide
CID 3886656
1-(4-ethylphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 3156932

Frequently Asked Questions

What is the IUPAC name of 5-[(5-iodofuran-2-yl)methylamino]-2-methylisoindole-1,3-dione?
The IUPAC name of 5-[(5-iodofuran-2-yl)methylamino]-2-methylisoindole-1,3-dione (CID 43759033) is 5-[(5-iodofuran-2-yl)methylamino]-2-methylisoindole-1,3-dione.
What is the SMILES notation for 5-[(5-iodofuran-2-yl)methylamino]-2-methylisoindole-1,3-dione?
The canonical SMILES for 5-[(5-iodofuran-2-yl)methylamino]-2-methylisoindole-1,3-dione is CN1C(=O)c2ccc(NCc3ccc(I)o3)cc2C1=O.
What is the InChIKey of 5-[(5-iodofuran-2-yl)methylamino]-2-methylisoindole-1,3-dione?
The InChIKey is KUOVIPKUMHMUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11IN2O3/c1-17-13(18)10-4-2-8(6-11(10)14(17)19)16-7-9-3-5-12(15)20-9/h2-6,16H,7H2,1H3.
What are the key properties of 5-[(5-iodofuran-2-yl)methylamino]-2-methylisoindole-1,3-dione?
5-[(5-iodofuran-2-yl)methylamino]-2-methylisoindole-1,3-dione has a molecular weight of 382.16 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-iodofuran-2-yl)methylamino]-2-methylisoindole-1,3-dione is sourced from PubChem (CID 43759033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).