2-(4-fluorophenyl)-8-(2-methylbenzoyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one

C20H21FN4O2 — CID 91890973

IUPAC2-(4-fluorophenyl)-8-(2-methylbenzoyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one
SMILESCc1ccccc1C(=O)N1CCC2(CC1)NC(=O)N(c1ccc(F)cc1)N2
InChIInChI=1S/C20H21FN4O2/c1-14-4-2-3-5-17(14)18(26)24-12-10-20(11-13-24)22-19(27)25(23-20)16-8-6-15(21)7-9-16/h2-9,23H,10-13H2,1H3,(H,22,27)
InChIKeyQPUDITKXPWWIMY-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.80
Rot. Bonds2

About 2-(4-fluorophenyl)-8-(2-methylbenzoyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one

2-(4-fluorophenyl)-8-(2-methylbenzoyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one (PubChem CID 91890973) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-8-(2-methylbenzoyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-8-(2-methylbenzoyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one
PubChem CID91890973
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name2-(4-fluorophenyl)-8-(2-methylbenzoyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one
SMILESCc1ccccc1C(=O)N1CCC2(CC1)NC(=O)N(c1ccc(F)cc1)N2
InChIInChI=1S/C20H21FN4O2/c1-14-4-2-3-5-17(14)18(26)24-12-10-20(11-13-24)22-19(27)25(23-20)16-8-6-15(21)7-9-16/h2-9,23H,10-13H2,1H3,(H,22,27)
InChIKeyQPUDITKXPWWIMY-UHFFFAOYSA-N
XLogP2.80
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluorophenyl)-8-(2-methylbenzoyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one 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

3,4-Difluoro-N-{2-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-YL]ethyl}benzamide
CID 53393916
4-(4-Fluoro-benzoylamino)-piperidine-1-carboxylic acid (4-fluoro-phenyl)-amide
CID 24793495
3-fluoro-N-(5-(2-((4-fluorophenyl)amino)-2-oxoethyl)-3-methyl-4-oxo-2-thioxoimidazolidin-1-yl)benzamide
CID 3712342
4-fluoro-N-[2-[1-(4-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]benzamide
CID 21428808
1-(3-Acetyl-phenyl)-3-[2-(4-fluoro-benzyl)-piperidin-1-yl]-urea
CID 44387842
(S)-3,4-difluoro-N-(1-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propan-2-yl)benzamide
CID 44591892
4-fluoro-N-[2-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]benzamide
CID 46939227
N-[2-[1-(3,4-difluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-4-fluorobenzamide
CID 46939324
1-Butyl-1-[[4-(ethylaminocarbamoyl)phenyl]methyl]-3-phenylurea
CID 168149873
N-[2-(2-fluorophenyl)-4-oxo-1,4-dihydroquinazolin-3(2H)-yl]acetamide
CID 3542370
4-(2-Methyl-benzoylamino)-piperidine-1-carboxylic acid m-tolylamide
CID 649269
(5R)-9-(3-fluorobenzoyl)-N-(3-fluorophenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3232644

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-8-(2-methylbenzoyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one?
The IUPAC name of 2-(4-fluorophenyl)-8-(2-methylbenzoyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one (CID 91890973) is 2-(4-fluorophenyl)-8-(2-methylbenzoyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-(4-fluorophenyl)-8-(2-methylbenzoyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-(4-fluorophenyl)-8-(2-methylbenzoyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one is Cc1ccccc1C(=O)N1CCC2(CC1)NC(=O)N(c1ccc(F)cc1)N2.
What is the InChIKey of 2-(4-fluorophenyl)-8-(2-methylbenzoyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one?
The InChIKey is QPUDITKXPWWIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-14-4-2-3-5-17(14)18(26)24-12-10-20(11-13-24)22-19(27)25(23-20)16-8-6-15(21)7-9-16/h2-9,23H,10-13H2,1H3,(H,22,27).
What are the key properties of 2-(4-fluorophenyl)-8-(2-methylbenzoyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one?
2-(4-fluorophenyl)-8-(2-methylbenzoyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one has a molecular weight of 368.41 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-8-(2-methylbenzoyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one is sourced from PubChem (CID 91890973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).