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

C18H18ClN3O4 — CID 27846207

IUPAC5-chloro-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)oc2ccc(Cl)cc12
InChIInChI=1S/C18H18ClN3O4/c1-10-12-9-11(19)5-6-13(12)26-14(10)15(23)21-22-16(24)18(20-17(22)25)7-3-2-4-8-18/h5-6,9H,2-4,7-8H2,1H3,(H,20,25)(H,21,23)
InChIKeyZBLLGEFYKKVZFW-UHFFFAOYSA-N
MW375.81 g/mol
LogP3.29
Rot. Bonds2

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

5-chloro-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 27846207) has the molecular formula C18H18ClN3O4 and a molecular weight of 375.81 g/mol. Its IUPAC name is 5-chloro-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-methyl-1-benzofuran-2-carboxamide
PubChem CID27846207
Molecular FormulaC18H18ClN3O4
Molecular Weight375.81 g/mol
Exact Mass375.10
IUPAC Name5-chloro-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)oc2ccc(Cl)cc12
InChIInChI=1S/C18H18ClN3O4/c1-10-12-9-11(19)5-6-13(12)26-14(10)15(23)21-22-16(24)18(20-17(22)25)7-3-2-4-8-18/h5-6,9H,2-4,7-8H2,1H3,(H,20,25)(H,21,23)
InChIKeyZBLLGEFYKKVZFW-UHFFFAOYSA-N
XLogP3.29
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.81
LogP ≤ 53.29
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-bromo-3-methyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-benzofuran-2-carboxamide
CID 16573952
5-bromo-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-benzofuran-2-carboxamide
CID 46429890
3-chloro-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4,5-dimethoxybenzamide
CID 27532791
5-chloro-3-methyl-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-1-benzofuran-2-carboxamide
CID 43071965
5-chloro-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide
CID 47016896
5-chloro-3-methyl-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide
CID 35343024
2-(5-chloro-2-methoxyanilino)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 24533725
5-chloro-3-methyl-N-(3-pyrrolidin-1-ylphenyl)-1-benzofuran-2-carboxamide
CID 55812175
5-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-3-methyl-1-benzofuran-2-carboxamide
CID 62521908
(2S,3R)-2-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]-3-hydroxybutanoic acid
CID 104964498
5-chloro-3-methyl-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)-1-benzofuran-2-carboxamide
CID 17013877
(2,4-dichlorophenyl)methyl-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-methylazanium
CID 8538402

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-methyl-1-benzofuran-2-carboxamide (CID 27846207) is 5-chloro-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)oc2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is ZBLLGEFYKKVZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O4/c1-10-12-9-11(19)5-6-13(12)26-14(10)15(23)21-22-16(24)18(20-17(22)25)7-3-2-4-8-18/h5-6,9H,2-4,7-8H2,1H3,(H,20,25)(H,21,23).
What are the key properties of 5-chloro-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-methyl-1-benzofuran-2-carboxamide?
5-chloro-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 375.81 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 27846207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).