N-(3-chloro-2-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide

C15H15ClFN3O3 — CID 51145756

IUPACN-(3-chloro-2-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1cccc(Cl)c1F
InChIInChI=1S/C15H15ClFN3O3/c16-9-4-3-5-10(12(9)17)18-11(21)8-20-13(22)15(19-14(20)23)6-1-2-7-15/h3-5H,1-2,6-8H2,(H,18,21)(H,19,23)
InChIKeyZPKFDFMMYSXMJK-UHFFFAOYSA-N
MW339.75 g/mol
LogP2.28
Rot. Bonds3

About N-(3-chloro-2-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide

N-(3-chloro-2-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide (PubChem CID 51145756) has the molecular formula C15H15ClFN3O3 and a molecular weight of 339.75 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
PubChem CID51145756
Molecular FormulaC15H15ClFN3O3
Molecular Weight339.75 g/mol
Exact Mass339.08
IUPAC NameN-(3-chloro-2-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1cccc(Cl)c1F
InChIInChI=1S/C15H15ClFN3O3/c16-9-4-3-5-10(12(9)17)18-11(21)8-20-13(22)15(19-14(20)23)6-1-2-7-15/h3-5H,1-2,6-8H2,(H,18,21)(H,19,23)
InChIKeyZPKFDFMMYSXMJK-UHFFFAOYSA-N
XLogP2.28
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.75
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dichlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 2475113
N-(2-chloro-4-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 2701817
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-naphthalen-1-ylacetamide
CID 2622589
N-(2-chlorophenyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 3919530
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-iodophenyl)acetamide
CID 2636302
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-methylphenyl)acetamide
CID 2701809
[2-(2-chloroanilino)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7822029
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-ethylphenyl)acetamide
CID 7170197
N-(2-chlorophenyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7180932
N-(4-bromo-2-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 2701816
N-(2-cyanophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 2583832
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-(3-chloro-2-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
The IUPAC name of N-(3-chloro-2-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide (CID 51145756) is N-(3-chloro-2-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide is O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1cccc(Cl)c1F.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
The InChIKey is ZPKFDFMMYSXMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O3/c16-9-4-3-5-10(12(9)17)18-11(21)8-20-13(22)15(19-14(20)23)6-1-2-7-15/h3-5H,1-2,6-8H2,(H,18,21)(H,19,23).
What are the key properties of N-(3-chloro-2-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
N-(3-chloro-2-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide has a molecular weight of 339.75 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide is sourced from PubChem (CID 51145756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).