2-chloro-N-(2,6-dioxopiperidin-3-yl)furan-3-carboxamide

C10H9ClN2O4 — CID 106686964

IUPAC2-chloro-N-(2,6-dioxopiperidin-3-yl)furan-3-carboxamide
SMILESO=C1CCC(NC(=O)c2ccoc2Cl)C(=O)N1
InChIInChI=1S/C10H9ClN2O4/c11-8-5(3-4-17-8)9(15)12-6-1-2-7(14)13-10(6)16/h3-4,6H,1-2H2,(H,12,15)(H,13,14,16)
InChIKeyKUUPVRRQHNLLAU-UHFFFAOYSA-N
MW256.64 g/mol
LogP0.47
Rot. Bonds2

About 2-chloro-N-(2,6-dioxopiperidin-3-yl)furan-3-carboxamide

2-chloro-N-(2,6-dioxopiperidin-3-yl)furan-3-carboxamide (PubChem CID 106686964) has the molecular formula C10H9ClN2O4 and a molecular weight of 256.64 g/mol. Its IUPAC name is 2-chloro-N-(2,6-dioxopiperidin-3-yl)furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2,6-dioxopiperidin-3-yl)furan-3-carboxamide
PubChem CID106686964
Molecular FormulaC10H9ClN2O4
Molecular Weight256.64 g/mol
Exact Mass256.03
IUPAC Name2-chloro-N-(2,6-dioxopiperidin-3-yl)furan-3-carboxamide
SMILESO=C1CCC(NC(=O)c2ccoc2Cl)C(=O)N1
InChIInChI=1S/C10H9ClN2O4/c11-8-5(3-4-17-8)9(15)12-6-1-2-7(14)13-10(6)16/h3-4,6H,1-2H2,(H,12,15)(H,13,14,16)
InChIKeyKUUPVRRQHNLLAU-UHFFFAOYSA-N
XLogP0.47
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.64
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[(3R)-2,6-dioxopiperidin-3-yl]benzamide
CID 2363882
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-hydroxybenzamide
CID 141087093
5-chloro-N-(2,6-dioxopiperidin-3-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80618531
N-[(3R)-2,6-dioxopiperidin-3-yl]pyridine-2-carboxamide
CID 175992021
2-acetyl-N-(2,6-dioxopiperidin-3-yl)benzamide;ethane
CID 144714237
2-chloro-N-(4-methylcyclohexyl)furan-3-carboxamide
CID 106685258
N-[(3S)-2,6-dioxopiperidin-3-yl]pyrimidine-2-carboxamide
CID 156797860
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide
CID 175838749
N-[(3R)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide
CID 165380137
3-chloro-N-(2,6-dioxopiperidin-3-yl)-2-hydroxy-5-phenylbenzamide
CID 167770120
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-chlorofuran-3-carboxamide
CID 106688572
N-(5-azaspiro[3.5]nonan-8-yl)-2-chlorofuran-3-carboxamide
CID 106688425

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,6-dioxopiperidin-3-yl)furan-3-carboxamide?
The IUPAC name of 2-chloro-N-(2,6-dioxopiperidin-3-yl)furan-3-carboxamide (CID 106686964) is 2-chloro-N-(2,6-dioxopiperidin-3-yl)furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(2,6-dioxopiperidin-3-yl)furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-(2,6-dioxopiperidin-3-yl)furan-3-carboxamide is O=C1CCC(NC(=O)c2ccoc2Cl)C(=O)N1.
What is the InChIKey of 2-chloro-N-(2,6-dioxopiperidin-3-yl)furan-3-carboxamide?
The InChIKey is KUUPVRRQHNLLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O4/c11-8-5(3-4-17-8)9(15)12-6-1-2-7(14)13-10(6)16/h3-4,6H,1-2H2,(H,12,15)(H,13,14,16).
What are the key properties of 2-chloro-N-(2,6-dioxopiperidin-3-yl)furan-3-carboxamide?
2-chloro-N-(2,6-dioxopiperidin-3-yl)furan-3-carboxamide has a molecular weight of 256.64 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,6-dioxopiperidin-3-yl)furan-3-carboxamide is sourced from PubChem (CID 106686964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).