N-(3,5-difluorophenyl)-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C15H15F2N3O4 — CID 91919248

IUPACN-(3,5-difluorophenyl)-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCOCC2)C1=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C15H15F2N3O4/c16-9-5-10(17)7-11(6-9)18-12(21)8-20-13(22)15(19-14(20)23)1-3-24-4-2-15/h5-7H,1-4,8H2,(H,18,21)(H,19,23)
InChIKeyJUPCCBIGFUCCEQ-UHFFFAOYSA-N
MW339.30 g/mol
LogP1.00
Rot. Bonds3

About N-(3,5-difluorophenyl)-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-(3,5-difluorophenyl)-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 91919248) has the molecular formula C15H15F2N3O4 and a molecular weight of 339.30 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID91919248
Molecular FormulaC15H15F2N3O4
Molecular Weight339.30 g/mol
Exact Mass339.10
IUPAC NameN-(3,5-difluorophenyl)-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCOCC2)C1=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C15H15F2N3O4/c16-9-5-10(17)7-11(6-9)18-12(21)8-20-13(22)15(19-14(20)23)1-3-24-4-2-15/h5-7H,1-4,8H2,(H,18,21)(H,19,23)
InChIKeyJUPCCBIGFUCCEQ-UHFFFAOYSA-N
XLogP1.00
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-(3,5-difluorophenyl)-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 91919248) is N-(3,5-difluorophenyl)-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-(3,5-difluorophenyl)-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)acetamide is O=C(CN1C(=O)NC2(CCOCC2)C1=O)Nc1cc(F)cc(F)c1.
What is the InChIKey of N-(3,5-difluorophenyl)-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is JUPCCBIGFUCCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O4/c16-9-5-10(17)7-11(6-9)18-12(21)8-20-13(22)15(19-14(20)23)1-3-24-4-2-15/h5-7H,1-4,8H2,(H,18,21)(H,19,23).
What are the key properties of N-(3,5-difluorophenyl)-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-(3,5-difluorophenyl)-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 339.30 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 91919248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).