N-(4-chlorophenyl)-2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide

C22H21ClFN3O2 — CID 7184195

IUPACN-(4-chlorophenyl)-2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
SMILESO=C(CN1C(=O)C(c2ccc(F)cc2)=NC12CCCCC2)Nc1ccc(Cl)cc1
InChIInChI=1S/C22H21ClFN3O2/c23-16-6-10-18(11-7-16)25-19(28)14-27-21(29)20(15-4-8-17(24)9-5-15)26-22(27)12-2-1-3-13-22/h4-11H,1-3,12-14H2,(H,25,28)
InChIKeyJUMATIPONWWOLH-UHFFFAOYSA-N
MW413.88 g/mol
LogP4.41
Rot. Bonds4

About N-(4-chlorophenyl)-2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide

N-(4-chlorophenyl)-2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide (PubChem CID 7184195) has the molecular formula C22H21ClFN3O2 and a molecular weight of 413.88 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
PubChem CID7184195
Molecular FormulaC22H21ClFN3O2
Molecular Weight413.88 g/mol
Exact Mass413.13
IUPAC NameN-(4-chlorophenyl)-2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
SMILESO=C(CN1C(=O)C(c2ccc(F)cc2)=NC12CCCCC2)Nc1ccc(Cl)cc1
InChIInChI=1S/C22H21ClFN3O2/c23-16-6-10-18(11-7-16)25-19(28)14-27-21(29)20(15-4-8-17(24)9-5-15)26-22(27)12-2-1-3-13-22/h4-11H,1-3,12-14H2,(H,25,28)
InChIKeyJUMATIPONWWOLH-UHFFFAOYSA-N
XLogP4.41
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.88
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide (CID 7184195) is N-(4-chlorophenyl)-2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide is O=C(CN1C(=O)C(c2ccc(F)cc2)=NC12CCCCC2)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide?
The InChIKey is JUMATIPONWWOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClFN3O2/c23-16-6-10-18(11-7-16)25-19(28)14-27-21(29)20(15-4-8-17(24)9-5-15)26-22(27)12-2-1-3-13-22/h4-11H,1-3,12-14H2,(H,25,28).
What are the key properties of N-(4-chlorophenyl)-2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide?
N-(4-chlorophenyl)-2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide has a molecular weight of 413.88 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide is sourced from PubChem (CID 7184195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).