N-[(4-fluorophenyl)methyl]-2-[3-(4-methylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide

C23H25FN4O2 — CID 20962213

IUPACN-[(4-fluorophenyl)methyl]-2-[3-(4-methylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide
SMILESCc1ccc(C2=NC3(CCN(CC(=O)NCc4ccc(F)cc4)CC3)NC2=O)cc1
InChIInChI=1S/C23H25FN4O2/c1-16-2-6-18(7-3-16)21-22(30)27-23(26-21)10-12-28(13-11-23)15-20(29)25-14-17-4-8-19(24)9-5-17/h2-9H,10-15H2,1H3,(H,25,29)(H,27,30)
InChIKeyZEIHLVLAGMFCNE-UHFFFAOYSA-N
MW408.48 g/mol
LogP2.16
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-2-[3-(4-methylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide

N-[(4-fluorophenyl)methyl]-2-[3-(4-methylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide (PubChem CID 20962213) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[3-(4-methylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[3-(4-methylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide
PubChem CID20962213
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[3-(4-methylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide
SMILESCc1ccc(C2=NC3(CCN(CC(=O)NCc4ccc(F)cc4)CC3)NC2=O)cc1
InChIInChI=1S/C23H25FN4O2/c1-16-2-6-18(7-3-16)21-22(30)27-23(26-21)10-12-28(13-11-23)15-20(29)25-14-17-4-8-19(24)9-5-17/h2-9H,10-15H2,1H3,(H,25,29)(H,27,30)
InChIKeyZEIHLVLAGMFCNE-UHFFFAOYSA-N
XLogP2.16
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[3-(4-methylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[3-(4-methylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide (CID 20962213) is N-[(4-fluorophenyl)methyl]-2-[3-(4-methylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[3-(4-methylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[3-(4-methylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide is Cc1ccc(C2=NC3(CCN(CC(=O)NCc4ccc(F)cc4)CC3)NC2=O)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[3-(4-methylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide?
The InChIKey is ZEIHLVLAGMFCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-16-2-6-18(7-3-16)21-22(30)27-23(26-21)10-12-28(13-11-23)15-20(29)25-14-17-4-8-19(24)9-5-17/h2-9H,10-15H2,1H3,(H,25,29)(H,27,30).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[3-(4-methylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide?
N-[(4-fluorophenyl)methyl]-2-[3-(4-methylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide has a molecular weight of 408.48 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[3-(4-methylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide is sourced from PubChem (CID 20962213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).