5-bromo-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-benzofuran-2-carboxamide

C17H16BrN3O4 — CID 46429890

IUPAC5-bromo-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-benzofuran-2-carboxamide
SMILESO=C(NN1C(=O)NC2(CCCCC2)C1=O)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C17H16BrN3O4/c18-11-4-5-12-10(8-11)9-13(25-12)14(22)20-21-15(23)17(19-16(21)24)6-2-1-3-7-17/h4-5,8-9H,1-3,6-7H2,(H,19,24)(H,20,22)
InChIKeyXGSXBGNLKCKGOK-UHFFFAOYSA-N
MW406.24 g/mol
LogP3.09
Rot. Bonds2

About 5-bromo-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-benzofuran-2-carboxamide

5-bromo-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-benzofuran-2-carboxamide (PubChem CID 46429890) has the molecular formula C17H16BrN3O4 and a molecular weight of 406.24 g/mol. Its IUPAC name is 5-bromo-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-benzofuran-2-carboxamide
PubChem CID46429890
Molecular FormulaC17H16BrN3O4
Molecular Weight406.24 g/mol
Exact Mass405.03
IUPAC Name5-bromo-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-benzofuran-2-carboxamide
SMILESO=C(NN1C(=O)NC2(CCCCC2)C1=O)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C17H16BrN3O4/c18-11-4-5-12-10(8-11)9-13(25-12)14(22)20-21-15(23)17(19-16(21)24)6-2-1-3-7-17/h4-5,8-9H,1-3,6-7H2,(H,19,24)(H,20,22)
InChIKeyXGSXBGNLKCKGOK-UHFFFAOYSA-N
XLogP3.09
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.24
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-bromo-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-benzofuran-2-carboxamide (CID 46429890) is 5-bromo-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-benzofuran-2-carboxamide is O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1cc2cc(Br)ccc2o1.
What is the InChIKey of 5-bromo-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-benzofuran-2-carboxamide?
The InChIKey is XGSXBGNLKCKGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O4/c18-11-4-5-12-10(8-11)9-13(25-12)14(22)20-21-15(23)17(19-16(21)24)6-2-1-3-7-17/h4-5,8-9H,1-3,6-7H2,(H,19,24)(H,20,22).
What are the key properties of 5-bromo-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-benzofuran-2-carboxamide?
5-bromo-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-benzofuran-2-carboxamide has a molecular weight of 406.24 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 46429890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).