2-[3-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]propyl]benzamide

C24H27FN4O3 — CID 173148146

IUPAC2-[3-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]propyl]benzamide
SMILESNC(=O)c1ccccc1CCCN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O
InChIInChI=1S/C24H27FN4O3/c25-19-9-7-17(8-10-19)16-29-22(31)24(27-23(29)32)11-14-28(15-12-24)13-3-5-18-4-1-2-6-20(18)21(26)30/h1-2,4,6-10H,3,5,11-16H2,(H2,26,30)(H,27,32)
InChIKeyRGXDMNGTVPOYMO-UHFFFAOYSA-N
MW438.50 g/mol
LogP2.44
Rot. Bonds7

About 2-[3-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]propyl]benzamide

2-[3-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]propyl]benzamide (PubChem CID 173148146) has the molecular formula C24H27FN4O3 and a molecular weight of 438.50 g/mol. Its IUPAC name is 2-[3-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]propyl]benzamide.

Molecular Properties

Compound Name2-[3-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]propyl]benzamide
PubChem CID173148146
Molecular FormulaC24H27FN4O3
Molecular Weight438.50 g/mol
Exact Mass438.21
IUPAC Name2-[3-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]propyl]benzamide
SMILESNC(=O)c1ccccc1CCCN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O
InChIInChI=1S/C24H27FN4O3/c25-19-9-7-17(8-10-19)16-29-22(31)24(27-23(29)32)11-14-28(15-12-24)13-3-5-18-4-1-2-6-20(18)21(26)30/h1-2,4,6-10H,3,5,11-16H2,(H2,26,30)(H,27,32)
InChIKeyRGXDMNGTVPOYMO-UHFFFAOYSA-N
XLogP2.44
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-fluorophenyl)methyl]-8-phenacyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42109408
3-[(4-methoxyphenyl)methyl]-8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 91218791
8-[(4-fluorophenyl)methyl]-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 27622487
2-[3-(1-oxo-1,4-thiazinan-4-yl)propyl]benzamide
CID 142798440
3-[(4-aminophenyl)methyl]-8-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 94755094
8-(2-chloro-4-fluorobenzoyl)-3-[(4-fluorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42109459
2-(8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetic acid
CID 42065010
2-(8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-N-(4-fluorophenyl)acetamide
CID 16896726
2-[8-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetonitrile
CID 94753367
8-[(3S)-3-amino-3-phenylpropyl]-3-[(4-bromophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 11213585
8-(2,5-difluorobenzoyl)-3-[(4-methylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 83276840
2-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]benzamide
CID 17402203

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]propyl]benzamide?
The IUPAC name of 2-[3-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]propyl]benzamide (CID 173148146) is 2-[3-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]propyl]benzamide.
What is the SMILES notation for 2-[3-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]propyl]benzamide?
The canonical SMILES for 2-[3-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]propyl]benzamide is NC(=O)c1ccccc1CCCN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O.
What is the InChIKey of 2-[3-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]propyl]benzamide?
The InChIKey is RGXDMNGTVPOYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O3/c25-19-9-7-17(8-10-19)16-29-22(31)24(27-23(29)32)11-14-28(15-12-24)13-3-5-18-4-1-2-6-20(18)21(26)30/h1-2,4,6-10H,3,5,11-16H2,(H2,26,30)(H,27,32).
What are the key properties of 2-[3-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]propyl]benzamide?
2-[3-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]propyl]benzamide has a molecular weight of 438.50 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]propyl]benzamide is sourced from PubChem (CID 173148146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).