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

C17H19F2N3O3 — CID 138997783

IUPACN-[(2,5-difluorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCCC2)C1=O)NCc1cc(F)ccc1F
InChIInChI=1S/C17H19F2N3O3/c18-12-4-5-13(19)11(8-12)9-20-14(23)10-22-15(24)17(21-16(22)25)6-2-1-3-7-17/h4-5,8H,1-3,6-7,9-10H2,(H,20,23)(H,21,25)
InChIKeyVCAUQMODDQBFRE-UHFFFAOYSA-N
MW351.35 g/mol
LogP1.84
Rot. Bonds4

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

N-[(2,5-difluorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 138997783) has the molecular formula C17H19F2N3O3 and a molecular weight of 351.35 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID138997783
Molecular FormulaC17H19F2N3O3
Molecular Weight351.35 g/mol
Exact Mass351.14
IUPAC NameN-[(2,5-difluorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCCC2)C1=O)NCc1cc(F)ccc1F
InChIInChI=1S/C17H19F2N3O3/c18-12-4-5-13(19)11(8-12)9-20-14(23)10-22-15(24)17(21-16(22)25)6-2-1-3-7-17/h4-5,8H,1-3,6-7,9-10H2,(H,20,23)(H,21,25)
InChIKeyVCAUQMODDQBFRE-UHFFFAOYSA-N
XLogP1.84
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(2,5-difluorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2085043
N-(3,4-difluorophenyl)-2-[[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetyl]amino]acetamide
CID 9401939
N-(2-chloro-4-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 2701817
N-(3,5-difluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 46665812
N-(3-aminopropyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 119405447
N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 2125664
N-[2-(2,4-dichlorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 2090297
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propylacetamide
CID 7610006
N-(4-bromo-2-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 2701816
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-fluorophenyl)methyl]butanamide
CID 27845838
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]acetamide
CID 55638303
N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 2701850

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 138997783) is N-[(2,5-difluorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is O=C(CN1C(=O)NC2(CCCCC2)C1=O)NCc1cc(F)ccc1F.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is VCAUQMODDQBFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O3/c18-12-4-5-13(19)11(8-12)9-20-14(23)10-22-15(24)17(21-16(22)25)6-2-1-3-7-17/h4-5,8H,1-3,6-7,9-10H2,(H,20,23)(H,21,25).
What are the key properties of N-[(2,5-difluorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-[(2,5-difluorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 351.35 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 138997783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).