N-(3,4-dimethylphenyl)-2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]acetamide

C25H28FN3O2 — CID 7184194

IUPACN-(3,4-dimethylphenyl)-2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)C(c3ccc(F)cc3)=NC23CCCCCC3)cc1C
InChIInChI=1S/C25H28FN3O2/c1-17-7-12-21(15-18(17)2)27-22(30)16-29-24(31)23(19-8-10-20(26)11-9-19)28-25(29)13-5-3-4-6-14-25/h7-12,15H,3-6,13-14,16H2,1-2H3,(H,27,30)
InChIKeyOXAFUVUEHPPVMS-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.76
Rot. Bonds4

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

N-(3,4-dimethylphenyl)-2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]acetamide (PubChem CID 7184194) has the molecular formula C25H28FN3O2 and a molecular weight of 421.52 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]acetamide
PubChem CID7184194
Molecular FormulaC25H28FN3O2
Molecular Weight421.52 g/mol
Exact Mass421.22
IUPAC NameN-(3,4-dimethylphenyl)-2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)C(c3ccc(F)cc3)=NC23CCCCCC3)cc1C
InChIInChI=1S/C25H28FN3O2/c1-17-7-12-21(15-18(17)2)27-22(30)16-29-24(31)23(19-8-10-20(26)11-9-19)28-25(29)13-5-3-4-6-14-25/h7-12,15H,3-6,13-14,16H2,1-2H3,(H,27,30)
InChIKeyOXAFUVUEHPPVMS-UHFFFAOYSA-N
XLogP4.76
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
2-[2-(4-chlorophenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-(3-cyano-4-fluorophenyl)acetamide
CID 24746654
N-(3-chloro-4-methoxyphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)acetamide
CID 2141006
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-(3,4-difluorophenyl)-2-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide
CID 23603236
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
2-[2-(4-chlorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(3-methylsulfinylphenyl)acetamide
CID 143538723
N-(2,3-dimethylphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide
CID 53366880
N-(4-butylphenyl)-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
CID 53490450

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]acetamide (CID 7184194) is N-(3,4-dimethylphenyl)-2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]acetamide is Cc1ccc(NC(=O)CN2C(=O)C(c3ccc(F)cc3)=NC23CCCCCC3)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]acetamide?
The InChIKey is OXAFUVUEHPPVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O2/c1-17-7-12-21(15-18(17)2)27-22(30)16-29-24(31)23(19-8-10-20(26)11-9-19)28-25(29)13-5-3-4-6-14-25/h7-12,15H,3-6,13-14,16H2,1-2H3,(H,27,30).
What are the key properties of N-(3,4-dimethylphenyl)-2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]acetamide?
N-(3,4-dimethylphenyl)-2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]acetamide has a molecular weight of 421.52 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]acetamide is sourced from PubChem (CID 7184194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).