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

C15H15ClFN3O3 — CID 2711651

IUPACN-(3-chloro-4-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H15ClFN3O3/c16-10-7-9(3-4-11(10)17)18-12(21)8-20-13(22)15(19-14(20)23)5-1-2-6-15/h3-4,7H,1-2,5-6,8H2,(H,18,21)(H,19,23)
InChIKeyKBHQOONGNPECBW-UHFFFAOYSA-N
MW339.75 g/mol
LogP2.28
Rot. Bonds3

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

N-(3-chloro-4-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide (PubChem CID 2711651) has the molecular formula C15H15ClFN3O3 and a molecular weight of 339.75 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
PubChem CID2711651
Molecular FormulaC15H15ClFN3O3
Molecular Weight339.75 g/mol
Exact Mass339.08
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H15ClFN3O3/c16-10-7-9(3-4-11(10)17)18-12(21)8-20-13(22)15(19-14(20)23)5-1-2-6-15/h3-4,7H,1-2,5-6,8H2,(H,18,21)(H,19,23)
InChIKeyKBHQOONGNPECBW-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

3-(4-Chlorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 1448368
3-(3-Chlorophenyl)-1,3-diazaspiro(4.5)decane-2,4-dione
CID 935328
2-(2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)-N-(4-fluorophenyl)acetamide
CID 2078174
N-(5-chloro-2-methylphenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 4779526
N-(3-chloro-4-fluorophenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide
CID 4976766
N-(4-chloro-2-methylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 5227138
5-[3-[4-(3-Chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121437569
5-[3-[4-(3-Chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-cyclobutylimidazolidine-2,4-dione
CID 121437752
5-[3-[4-(3-Chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione
CID 121437858
5-[2-[4-(3,5-Dichlorophenyl)piperazine-1-carbonyl]-3-methylbutyl]-5-methylimidazolidine-2,4-dione
CID 121448880
5-[3-[4-(3,5-Dichlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121448965
5-[3-[4-(3-Chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134368738

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide (CID 2711651) is N-(3-chloro-4-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide is O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
The InChIKey is KBHQOONGNPECBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O3/c16-10-7-9(3-4-11(10)17)18-12(21)8-20-13(22)15(19-14(20)23)5-1-2-6-15/h3-4,7H,1-2,5-6,8H2,(H,18,21)(H,19,23).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
N-(3-chloro-4-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-4-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide is sourced from PubChem (CID 2711651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).