2-[[2-(2,6-dioxopiperidin-3-yl)-7-iodo-3-oxo-1H-isoindol-5-yl]amino]acetamide

C15H15IN4O4 — CID 156528081

IUPAC2-[[2-(2,6-dioxopiperidin-3-yl)-7-iodo-3-oxo-1H-isoindol-5-yl]amino]acetamide
SMILESNC(=O)CNc1cc(I)c2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2
InChIInChI=1S/C15H15IN4O4/c16-10-4-7(18-5-12(17)21)3-8-9(10)6-20(15(8)24)11-1-2-13(22)19-14(11)23/h3-4,11,18H,1-2,5-6H2,(H2,17,21)(H,19,22,23)
InChIKeyLUJUUEHGWHJNIG-UHFFFAOYSA-N
MW442.21 g/mol
LogP-0.05
Rot. Bonds4

About 2-[[2-(2,6-dioxopiperidin-3-yl)-7-iodo-3-oxo-1H-isoindol-5-yl]amino]acetamide

2-[[2-(2,6-dioxopiperidin-3-yl)-7-iodo-3-oxo-1H-isoindol-5-yl]amino]acetamide (PubChem CID 156528081) has the molecular formula C15H15IN4O4 and a molecular weight of 442.21 g/mol. Its IUPAC name is 2-[[2-(2,6-dioxopiperidin-3-yl)-7-iodo-3-oxo-1H-isoindol-5-yl]amino]acetamide.

Molecular Properties

Compound Name2-[[2-(2,6-dioxopiperidin-3-yl)-7-iodo-3-oxo-1H-isoindol-5-yl]amino]acetamide
PubChem CID156528081
Molecular FormulaC15H15IN4O4
Molecular Weight442.21 g/mol
Exact Mass442.01
IUPAC Name2-[[2-(2,6-dioxopiperidin-3-yl)-7-iodo-3-oxo-1H-isoindol-5-yl]amino]acetamide
SMILESNC(=O)CNc1cc(I)c2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2
InChIInChI=1S/C15H15IN4O4/c16-10-4-7(18-5-12(17)21)3-8-9(10)6-20(15(8)24)11-1-2-13(22)19-14(11)23/h3-4,11,18H,1-2,5-6H2,(H2,17,21)(H,19,22,23)
InChIKeyLUJUUEHGWHJNIG-UHFFFAOYSA-N
XLogP-0.05
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.21
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[2-(2,6-dioxopiperidin-3-yl)-7-iodo-3-oxo-1H-isoindol-5-yl]amino]acetamide with MolForge

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Related Compounds

2-(dimethylamino)-N-[2-(2,6-dioxopiperidin-3-yl)-7-iodo-3-oxo-1H-isoindol-5-yl]acetamide
CID 156527826
2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]sulfanyl]acetamide
CID 154689467
2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]-N-methylacetamide
CID 166074434
3-[3-oxo-5-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156502172
3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]sulfanyl]propanamide
CID 175732958
3-(5-fluoro-7-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167273533
N,N'-bis[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]propanediamide
CID 166027073
methyl 7-bromo-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carboxylate
CID 166074332
N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-2,2-dimethylpropanamide
CID 166410779
2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-N-methylacetamide
CID 171491512
[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-(3-tert-butylphenyl)carbamate
CID 166074333
3-[7-[[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167470395

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,6-dioxopiperidin-3-yl)-7-iodo-3-oxo-1H-isoindol-5-yl]amino]acetamide?
The IUPAC name of 2-[[2-(2,6-dioxopiperidin-3-yl)-7-iodo-3-oxo-1H-isoindol-5-yl]amino]acetamide (CID 156528081) is 2-[[2-(2,6-dioxopiperidin-3-yl)-7-iodo-3-oxo-1H-isoindol-5-yl]amino]acetamide.
What is the SMILES notation for 2-[[2-(2,6-dioxopiperidin-3-yl)-7-iodo-3-oxo-1H-isoindol-5-yl]amino]acetamide?
The canonical SMILES for 2-[[2-(2,6-dioxopiperidin-3-yl)-7-iodo-3-oxo-1H-isoindol-5-yl]amino]acetamide is NC(=O)CNc1cc(I)c2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2.
What is the InChIKey of 2-[[2-(2,6-dioxopiperidin-3-yl)-7-iodo-3-oxo-1H-isoindol-5-yl]amino]acetamide?
The InChIKey is LUJUUEHGWHJNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IN4O4/c16-10-4-7(18-5-12(17)21)3-8-9(10)6-20(15(8)24)11-1-2-13(22)19-14(11)23/h3-4,11,18H,1-2,5-6H2,(H2,17,21)(H,19,22,23).
What are the key properties of 2-[[2-(2,6-dioxopiperidin-3-yl)-7-iodo-3-oxo-1H-isoindol-5-yl]amino]acetamide?
2-[[2-(2,6-dioxopiperidin-3-yl)-7-iodo-3-oxo-1H-isoindol-5-yl]amino]acetamide has a molecular weight of 442.21 g/mol, XLogP of -0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,6-dioxopiperidin-3-yl)-7-iodo-3-oxo-1H-isoindol-5-yl]amino]acetamide is sourced from PubChem (CID 156528081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).