5-bromo-3-methyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-benzofuran-2-carboxamide

C19H20BrN3O4 — CID 16573952

IUPAC5-bromo-3-methyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)oc2ccc(Br)cc12
InChIInChI=1S/C19H20BrN3O4/c1-10-5-7-19(8-6-10)17(25)23(18(26)21-19)22-16(24)15-11(2)13-9-12(20)3-4-14(13)27-15/h3-4,9-10H,5-8H2,1-2H3,(H,21,26)(H,22,24)
InChIKeyDGTYDUILWKGIIE-UHFFFAOYSA-N
MW434.29 g/mol
LogP3.65
Rot. Bonds2

About 5-bromo-3-methyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-benzofuran-2-carboxamide

5-bromo-3-methyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-benzofuran-2-carboxamide (PubChem CID 16573952) has the molecular formula C19H20BrN3O4 and a molecular weight of 434.29 g/mol. Its IUPAC name is 5-bromo-3-methyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-3-methyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-benzofuran-2-carboxamide
PubChem CID16573952
Molecular FormulaC19H20BrN3O4
Molecular Weight434.29 g/mol
Exact Mass433.06
IUPAC Name5-bromo-3-methyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)oc2ccc(Br)cc12
InChIInChI=1S/C19H20BrN3O4/c1-10-5-7-19(8-6-10)17(25)23(18(26)21-19)22-16(24)15-11(2)13-9-12(20)3-4-14(13)27-15/h3-4,9-10H,5-8H2,1-2H3,(H,21,26)(H,22,24)
InChIKeyDGTYDUILWKGIIE-UHFFFAOYSA-N
XLogP3.65
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.29
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 27846207
5-bromo-3-methyl-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide
CID 3947407
[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 7239334
[1-(5-bromo-3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 60550137
5-bromo-3-methyl-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide;hydrochloride
CID 120602547
5-[(3-bromophenoxy)methyl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)furan-2-carboxamide
CID 46489072
N-(4-aminocyclohexyl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide
CID 119475221
5-bromo-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-benzofuran-2-carboxamide
CID 46429890
6-methyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)pyridine-2-carboxamide
CID 32645806
(3R,4R)-1-(5-bromo-3-methyl-1-benzofuran-2-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 120979209
5-bromo-3-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1-benzofuran-2-carboxamide
CID 3950385
(5-bromo-3-methyl-1-benzofuran-2-yl)-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79403347

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-3-methyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-benzofuran-2-carboxamide (CID 16573952) is 5-bromo-3-methyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-3-methyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-3-methyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)oc2ccc(Br)cc12.
What is the InChIKey of 5-bromo-3-methyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-benzofuran-2-carboxamide?
The InChIKey is DGTYDUILWKGIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O4/c1-10-5-7-19(8-6-10)17(25)23(18(26)21-19)22-16(24)15-11(2)13-9-12(20)3-4-14(13)27-15/h3-4,9-10H,5-8H2,1-2H3,(H,21,26)(H,22,24).
What are the key properties of 5-bromo-3-methyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-benzofuran-2-carboxamide?
5-bromo-3-methyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-benzofuran-2-carboxamide has a molecular weight of 434.29 g/mol, XLogP of 3.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 16573952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).