2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]-N-(2-methylphenyl)acetamide;2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)-N-phenylacetamide

C47H51FN6O4 — CID 160593756

IUPAC2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]-N-(2-methylphenyl)acetamide;2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)-N-phenylacetamide
SMILESCc1ccccc1NC(=O)CN1C(=O)C(c2ccc(F)cc2)=NC12CCCCCC2.O=C(CN1C(=O)C(c2ccccc2)=NC12CCCCCC2)Nc1ccccc1
InChIInChI=1S/C24H26FN3O2.C23H25N3O2/c1-17-8-4-5-9-20(17)26-21(29)16-28-23(30)22(18-10-12-19(25)13-11-18)27-24(28)14-6-2-3-7-15-24;27-20(24-19-13-7-4-8-14-19)17-26-22(28)21(18-11-5-3-6-12-18)25-23(26)15-9-1-2-10-16-23/h4-5,8-13H,2-3,6-7,14-16H2,1H3,(H,26,29);3-8,11-14H,1-2,9-10,15-17H2,(H,24,27)
InChIKeyRDIZKRXTNHNJNI-UHFFFAOYSA-N
MW782.96 g/mol
LogP8.46
Rot. Bonds8

About 2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]-N-(2-methylphenyl)acetamide;2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)-N-phenylacetamide

2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]-N-(2-methylphenyl)acetamide;2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)-N-phenylacetamide (PubChem CID 160593756) has the molecular formula C47H51FN6O4 and a molecular weight of 782.96 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]-N-(2-methylphenyl)acetamide;2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]-N-(2-methylphenyl)acetamide;2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)-N-phenylacetamide
PubChem CID160593756
Molecular FormulaC47H51FN6O4
Molecular Weight782.96 g/mol
Exact Mass782.40
IUPAC Name2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]-N-(2-methylphenyl)acetamide;2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)-N-phenylacetamide
SMILESCc1ccccc1NC(=O)CN1C(=O)C(c2ccc(F)cc2)=NC12CCCCCC2.O=C(CN1C(=O)C(c2ccccc2)=NC12CCCCCC2)Nc1ccccc1
InChIInChI=1S/C24H26FN3O2.C23H25N3O2/c1-17-8-4-5-9-20(17)26-21(29)16-28-23(30)22(18-10-12-19(25)13-11-18)27-24(28)14-6-2-3-7-15-24;27-20(24-19-13-7-4-8-14-19)17-26-22(28)21(18-11-5-3-6-12-18)25-23(26)15-9-1-2-10-16-23/h4-5,8-13H,2-3,6-7,14-16H2,1H3,(H,26,29);3-8,11-14H,1-2,9-10,15-17H2,(H,24,27)
InChIKeyRDIZKRXTNHNJNI-UHFFFAOYSA-N
XLogP8.46
TPSA123.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.96
LogP ≤ 58.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]-N-(2-methylphenyl)acetamide;2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)-N-phenylacetamide with MolForge

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Related Compounds

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-(2,3-dimethylphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide
CID 53366880
N-(2,3-dimethylphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.4]non-1-en-4-yl)acetamide
CID 91891070
N-(3,4-dimethylphenyl)-2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]acetamide
CID 7184194
2-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]-N-(2-methylphenyl)acetamide
CID 23603186
2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 53366889
2-[2-(3-chlorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(2-methoxyphenyl)acetamide
CID 24743552
N-(3-chloro-4-methoxyphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)acetamide
CID 2141006
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
2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(2,4,5-trifluorophenyl)acetamide
CID 24746340
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]-N-(2-methylphenyl)acetamide;2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)-N-phenylacetamide?
The IUPAC name of 2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]-N-(2-methylphenyl)acetamide;2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)-N-phenylacetamide (CID 160593756) is 2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]-N-(2-methylphenyl)acetamide;2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)-N-phenylacetamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]-N-(2-methylphenyl)acetamide;2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)-N-phenylacetamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]-N-(2-methylphenyl)acetamide;2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)-N-phenylacetamide is Cc1ccccc1NC(=O)CN1C(=O)C(c2ccc(F)cc2)=NC12CCCCCC2.O=C(CN1C(=O)C(c2ccccc2)=NC12CCCCCC2)Nc1ccccc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]-N-(2-methylphenyl)acetamide;2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)-N-phenylacetamide?
The InChIKey is RDIZKRXTNHNJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O2.C23H25N3O2/c1-17-8-4-5-9-20(17)26-21(29)16-28-23(30)22(18-10-12-19(25)13-11-18)27-24(28)14-6-2-3-7-15-24;27-20(24-19-13-7-4-8-14-19)17-26-22(28)21(18-11-5-3-6-12-18)25-23(26)15-9-1-2-10-16-23/h4-5,8-13H,2-3,6-7,14-16H2,1H3,(H,26,29);3-8,11-14H,1-2,9-10,15-17H2,(H,24,27).
What are the key properties of 2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]-N-(2-methylphenyl)acetamide;2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)-N-phenylacetamide?
2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]-N-(2-methylphenyl)acetamide;2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)-N-phenylacetamide has a molecular weight of 782.96 g/mol, XLogP of 8.46, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]-N-(2-methylphenyl)acetamide;2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)-N-phenylacetamide is sourced from PubChem (CID 160593756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).