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

C22H23FN4O3 — CID 20962241

IUPACN-(2-fluorophenyl)-2-[3-(4-methoxyphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide
SMILESCOc1ccc(C2=NC3(CCN(CC(=O)Nc4ccccc4F)CC3)NC2=O)cc1
InChIInChI=1S/C22H23FN4O3/c1-30-16-8-6-15(7-9-16)20-21(29)26-22(25-20)10-12-27(13-11-22)14-19(28)24-18-5-3-2-4-17(18)23/h2-9H,10-14H2,1H3,(H,24,28)(H,26,29)
InChIKeyIHAOFABJLRKRTF-UHFFFAOYSA-N
MW410.45 g/mol
LogP2.18
Rot. Bonds5

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

N-(2-fluorophenyl)-2-[3-(4-methoxyphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide (PubChem CID 20962241) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[3-(4-methoxyphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[3-(4-methoxyphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide
PubChem CID20962241
Molecular FormulaC22H23FN4O3
Molecular Weight410.45 g/mol
Exact Mass410.18
IUPAC NameN-(2-fluorophenyl)-2-[3-(4-methoxyphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide
SMILESCOc1ccc(C2=NC3(CCN(CC(=O)Nc4ccccc4F)CC3)NC2=O)cc1
InChIInChI=1S/C22H23FN4O3/c1-30-16-8-6-15(7-9-16)20-21(29)26-22(25-20)10-12-27(13-11-22)14-19(28)24-18-5-3-2-4-17(18)23/h2-9H,10-14H2,1H3,(H,24,28)(H,26,29)
InChIKeyIHAOFABJLRKRTF-UHFFFAOYSA-N
XLogP2.18
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[3-(4-methoxyphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[3-(4-methoxyphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide (CID 20962241) is N-(2-fluorophenyl)-2-[3-(4-methoxyphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[3-(4-methoxyphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[3-(4-methoxyphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide is COc1ccc(C2=NC3(CCN(CC(=O)Nc4ccccc4F)CC3)NC2=O)cc1.
What is the InChIKey of N-(2-fluorophenyl)-2-[3-(4-methoxyphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide?
The InChIKey is IHAOFABJLRKRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3/c1-30-16-8-6-15(7-9-16)20-21(29)26-22(25-20)10-12-27(13-11-22)14-19(28)24-18-5-3-2-4-17(18)23/h2-9H,10-14H2,1H3,(H,24,28)(H,26,29).
What are the key properties of N-(2-fluorophenyl)-2-[3-(4-methoxyphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide?
N-(2-fluorophenyl)-2-[3-(4-methoxyphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide has a molecular weight of 410.45 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[3-(4-methoxyphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide is sourced from PubChem (CID 20962241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).