2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(2,4,5-trifluorophenyl)acetamide

C23H22F3N3O3 — CID 24746340

IUPAC2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(2,4,5-trifluorophenyl)acetamide
SMILESCOc1ccc(C2=NC3(CCCCC3)N(CC(=O)Nc3cc(F)c(F)cc3F)C2=O)cc1
InChIInChI=1S/C23H22F3N3O3/c1-32-15-7-5-14(6-8-15)21-22(31)29(23(28-21)9-3-2-4-10-23)13-20(30)27-19-12-17(25)16(24)11-18(19)26/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,27,30)
InChIKeyGKHJNTODBDUPCB-UHFFFAOYSA-N
MW445.44 g/mol
LogP4.04
Rot. Bonds5

About 2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(2,4,5-trifluorophenyl)acetamide

2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(2,4,5-trifluorophenyl)acetamide (PubChem CID 24746340) has the molecular formula C23H22F3N3O3 and a molecular weight of 445.44 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(2,4,5-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(2,4,5-trifluorophenyl)acetamide
PubChem CID24746340
Molecular FormulaC23H22F3N3O3
Molecular Weight445.44 g/mol
Exact Mass445.16
IUPAC Name2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(2,4,5-trifluorophenyl)acetamide
SMILESCOc1ccc(C2=NC3(CCCCC3)N(CC(=O)Nc3cc(F)c(F)cc3F)C2=O)cc1
InChIInChI=1S/C23H22F3N3O3/c1-32-15-7-5-14(6-8-15)21-22(31)29(23(28-21)9-3-2-4-10-23)13-20(30)27-19-12-17(25)16(24)11-18(19)26/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,27,30)
InChIKeyGKHJNTODBDUPCB-UHFFFAOYSA-N
XLogP4.04
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.44
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[3,5-bis(trifluoromethyl)phenyl]-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
CID 24746337
2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 53490445
2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 53490419
N-(4-ethylphenyl)-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
CID 23603208
ethyl 2-[[2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetyl]amino]benzoate
CID 53490408
N-(2,5-dimethoxyphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.4]non-1-en-4-yl)acetamide
CID 91891060
N-(3,5-dimethoxyphenyl)-2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]acetamide;2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)-N-phenylacetamide
CID 161365092
N-(2-fluoro-5-methylphenyl)-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
CID 24743623
N-(4-butylphenyl)-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
CID 53490450
N-benzyl-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
CID 53490388
N-(3,4-dimethylphenyl)-2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]acetamide
CID 7184194
2-[2-(3-chlorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(2-methoxyphenyl)acetamide
CID 24743552

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(2,4,5-trifluorophenyl)acetamide?
The IUPAC name of 2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(2,4,5-trifluorophenyl)acetamide (CID 24746340) is 2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(2,4,5-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(2,4,5-trifluorophenyl)acetamide?
The canonical SMILES for 2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(2,4,5-trifluorophenyl)acetamide is COc1ccc(C2=NC3(CCCCC3)N(CC(=O)Nc3cc(F)c(F)cc3F)C2=O)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(2,4,5-trifluorophenyl)acetamide?
The InChIKey is GKHJNTODBDUPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O3/c1-32-15-7-5-14(6-8-15)21-22(31)29(23(28-21)9-3-2-4-10-23)13-20(30)27-19-12-17(25)16(24)11-18(19)26/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,27,30).
What are the key properties of 2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(2,4,5-trifluorophenyl)acetamide?
2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(2,4,5-trifluorophenyl)acetamide has a molecular weight of 445.44 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(2,4,5-trifluorophenyl)acetamide is sourced from PubChem (CID 24746340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).