5-fluoro-2-[4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanoyl]benzenediazonium chloride

C23H25ClFN5O2 — CID 10321888

IUPAC5-fluoro-2-[4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanoyl]benzenediazonium chloride
SMILESN#[N+]c1cc(F)ccc1C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1.[Cl-]
InChIInChI=1S/C23H24FN5O2.ClH/c24-17-8-9-19(20(15-17)27-25)21(30)7-4-12-28-13-10-23(11-14-28)22(31)26-16-29(23)18-5-2-1-3-6-18;/h1-3,5-6,8-9,15H,4,7,10-14,16H2;1H
InChIKeyDKAPBPWSMGJOQR-UHFFFAOYSA-N
MW457.94 g/mol
LogP0.71
Rot. Bonds6

About 5-fluoro-2-[4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanoyl]benzenediazonium chloride

5-fluoro-2-[4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanoyl]benzenediazonium chloride (PubChem CID 10321888) has the molecular formula C23H25ClFN5O2 and a molecular weight of 457.94 g/mol. Its IUPAC name is 5-fluoro-2-[4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanoyl]benzenediazonium chloride.

Molecular Properties

Compound Name5-fluoro-2-[4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanoyl]benzenediazonium chloride
PubChem CID10321888
Molecular FormulaC23H25ClFN5O2
Molecular Weight457.94 g/mol
Exact Mass457.17
IUPAC Name5-fluoro-2-[4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanoyl]benzenediazonium chloride
SMILESN#[N+]c1cc(F)ccc1C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1.[Cl-]
InChIInChI=1S/C23H24FN5O2.ClH/c24-17-8-9-19(20(15-17)27-25)21(30)7-4-12-28-13-10-23(11-14-28)22(31)26-16-29(23)18-5-2-1-3-6-18;/h1-3,5-6,8-9,15H,4,7,10-14,16H2;1H
InChIKeyDKAPBPWSMGJOQR-UHFFFAOYSA-N
XLogP0.71
TPSA80.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.94
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-[4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanoyl]benzenediazonium
CID 10321889
2-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]butanoyl]-5-fluorobenzenediazonium chloride
CID 10252564
8-[4-[4-(1,1-difluoroethyl)phenyl]-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 157224254
4-fluoro-2-methoxy-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide
CID 21428983
8-(3-chloropropyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 21453222
8-[3-[2-(2,4-difluorophenyl)-1,3-dioxolan-2-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 10072817
1-(4-fluorophenyl)-8-[4-(5-methyl-1H-indol-2-yl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one
CID 157384099
2-amino-4-fluoro-N-[2-[1-(4-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]benzamide;hydrate;hydrochloride
CID 21428955
8-[3-[2-(4-fluoro-2-methylphenyl)-1,3-dioxolan-2-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 20560268
2,4-difluoro-N-[2-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]benzamide;2,2,2-trifluoroacetic acid
CID 56593077
2-chloro-4-fluoro-N-[2-[1-(4-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]benzamide
CID 21428852
methane;4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanoic acid
CID 159087750

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanoyl]benzenediazonium chloride?
The IUPAC name of 5-fluoro-2-[4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanoyl]benzenediazonium chloride (CID 10321888) is 5-fluoro-2-[4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanoyl]benzenediazonium chloride.
What is the SMILES notation for 5-fluoro-2-[4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanoyl]benzenediazonium chloride?
The canonical SMILES for 5-fluoro-2-[4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanoyl]benzenediazonium chloride is N#[N+]c1cc(F)ccc1C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1.[Cl-].
What is the InChIKey of 5-fluoro-2-[4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanoyl]benzenediazonium chloride?
The InChIKey is DKAPBPWSMGJOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O2.ClH/c24-17-8-9-19(20(15-17)27-25)21(30)7-4-12-28-13-10-23(11-14-28)22(31)26-16-29(23)18-5-2-1-3-6-18;/h1-3,5-6,8-9,15H,4,7,10-14,16H2;1H.
What are the key properties of 5-fluoro-2-[4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanoyl]benzenediazonium chloride?
5-fluoro-2-[4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanoyl]benzenediazonium chloride has a molecular weight of 457.94 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanoyl]benzenediazonium chloride is sourced from PubChem (CID 10321888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).