N-[(4-fluorophenyl)methyl]-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.4]non-1-en-4-yl)acetamide

C22H22FN3O2 — CID 91891068

IUPACN-[(4-fluorophenyl)methyl]-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.4]non-1-en-4-yl)acetamide
SMILESO=C(CN1C(=O)C(c2ccccc2)=NC12CCCC2)NCc1ccc(F)cc1
InChIInChI=1S/C22H22FN3O2/c23-18-10-8-16(9-11-18)14-24-19(27)15-26-21(28)20(17-6-2-1-3-7-17)25-22(26)12-4-5-13-22/h1-3,6-11H,4-5,12-15H2,(H,24,27)
InChIKeySIDTYPGIVUDIMY-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.04
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.4]non-1-en-4-yl)acetamide

N-[(4-fluorophenyl)methyl]-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.4]non-1-en-4-yl)acetamide (PubChem CID 91891068) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.4]non-1-en-4-yl)acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.4]non-1-en-4-yl)acetamide
PubChem CID91891068
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.4]non-1-en-4-yl)acetamide
SMILESO=C(CN1C(=O)C(c2ccccc2)=NC12CCCC2)NCc1ccc(F)cc1
InChIInChI=1S/C22H22FN3O2/c23-18-10-8-16(9-11-18)14-24-19(27)15-26-21(28)20(17-6-2-1-3-7-17)25-22(26)12-4-5-13-22/h1-3,6-11H,4-5,12-15H2,(H,24,27)
InChIKeySIDTYPGIVUDIMY-UHFFFAOYSA-N
XLogP3.04
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2087814
N~2~-[(3,5-Difluorophenyl)acetyl]-N-[(3s,7r)-1-Methyl-2-Oxo-7-Phenyl-2,3,4,7-Tetrahydro-1h-Azepin-3-Yl]-L-Alaninamide
CID 10071994
D-phenylalanyl-N-(3-fluorobenzyl)-L-prolinamide
CID 25011733
3,5-Dibenzylimidazolidine-2,4-dione
CID 243593
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 2103639
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 4596462
N-cyclohexyl-2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4798843
N-(4-fluorophenyl)-2-[3-(4-fluorophenyl)-2-oxo-1,4-diazaspiro[4.4]non-3-en-1-yl]acetamide
CID 2151528
N-(3,4-Difluorophenyl)-2-{2-oxo-3-phenyl-1,4-diazaspiro[4.5]dec-3-EN-1-YL}acetamide
CID 16062531
2-[3-(4-Fluorophenyl)-2-oxo-1,4-diazaspiro[4.5]dec-3-en-1-yl]-n-(2-methylphenyl)acetamide
CID 16062663
N-(4-Fluorophenyl)-2-{8-methyl-2-oxo-3-phenyl-1,4-diazaspiro[4.5]dec-3-EN-1-YL}acetamide
CID 16062919
N-(3-Fluorophenyl)-2-{2-oxo-3-phenyl-1,4-diazaspiro[4.6]undec-3-EN-1-YL}acetamide
CID 16063189

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.4]non-1-en-4-yl)acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.4]non-1-en-4-yl)acetamide (CID 91891068) is N-[(4-fluorophenyl)methyl]-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.4]non-1-en-4-yl)acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.4]non-1-en-4-yl)acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.4]non-1-en-4-yl)acetamide is O=C(CN1C(=O)C(c2ccccc2)=NC12CCCC2)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.4]non-1-en-4-yl)acetamide?
The InChIKey is SIDTYPGIVUDIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c23-18-10-8-16(9-11-18)14-24-19(27)15-26-21(28)20(17-6-2-1-3-7-17)25-22(26)12-4-5-13-22/h1-3,6-11H,4-5,12-15H2,(H,24,27).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.4]non-1-en-4-yl)acetamide?
N-[(4-fluorophenyl)methyl]-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.4]non-1-en-4-yl)acetamide has a molecular weight of 379.44 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.4]non-1-en-4-yl)acetamide is sourced from PubChem (CID 91891068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).