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

C22H18ClFN4O2 — CID 24746654

IUPAC2-[2-(4-chlorophenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-(3-cyano-4-fluorophenyl)acetamide
SMILESN#Cc1cc(NC(=O)CN2C(=O)C(c3ccc(Cl)cc3)=NC23CCCC3)ccc1F
InChIInChI=1S/C22H18ClFN4O2/c23-16-5-3-14(4-6-16)20-21(30)28(22(27-20)9-1-2-10-22)13-19(29)26-17-7-8-18(24)15(11-17)12-25/h3-8,11H,1-2,9-10,13H2,(H,26,29)
InChIKeyDLAFAIYJKUMILD-UHFFFAOYSA-N
MW424.86 g/mol
LogP3.89
Rot. Bonds4

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

2-[2-(4-chlorophenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-(3-cyano-4-fluorophenyl)acetamide (PubChem CID 24746654) has the molecular formula C22H18ClFN4O2 and a molecular weight of 424.86 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-(3-cyano-4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-(3-cyano-4-fluorophenyl)acetamide
PubChem CID24746654
Molecular FormulaC22H18ClFN4O2
Molecular Weight424.86 g/mol
Exact Mass424.11
IUPAC Name2-[2-(4-chlorophenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-(3-cyano-4-fluorophenyl)acetamide
SMILESN#Cc1cc(NC(=O)CN2C(=O)C(c3ccc(Cl)cc3)=NC23CCCC3)ccc1F
InChIInChI=1S/C22H18ClFN4O2/c23-16-5-3-14(4-6-16)20-21(30)28(22(27-20)9-1-2-10-22)13-19(29)26-17-7-8-18(24)15(11-17)12-25/h3-8,11H,1-2,9-10,13H2,(H,26,29)
InChIKeyDLAFAIYJKUMILD-UHFFFAOYSA-N
XLogP3.89
TPSA85.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.86
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-(3-cyano-4-fluorophenyl)acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-(3-cyano-4-fluorophenyl)acetamide (CID 24746654) is 2-[2-(4-chlorophenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-(3-cyano-4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-(3-cyano-4-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-(3-cyano-4-fluorophenyl)acetamide is N#Cc1cc(NC(=O)CN2C(=O)C(c3ccc(Cl)cc3)=NC23CCCC3)ccc1F.
What is the InChIKey of 2-[2-(4-chlorophenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-(3-cyano-4-fluorophenyl)acetamide?
The InChIKey is DLAFAIYJKUMILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN4O2/c23-16-5-3-14(4-6-16)20-21(30)28(22(27-20)9-1-2-10-22)13-19(29)26-17-7-8-18(24)15(11-17)12-25/h3-8,11H,1-2,9-10,13H2,(H,26,29).
What are the key properties of 2-[2-(4-chlorophenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-(3-cyano-4-fluorophenyl)acetamide?
2-[2-(4-chlorophenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-(3-cyano-4-fluorophenyl)acetamide has a molecular weight of 424.86 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-(3-cyano-4-fluorophenyl)acetamide is sourced from PubChem (CID 24746654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).