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

C23H23ClFN3O2 — CID 53366888

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide
SMILESO=C(CN1C(=O)C(c2ccccc2)=NC12CCCCC2)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C23H23ClFN3O2/c24-18-13-16(9-10-19(18)25)14-26-20(29)15-28-22(30)21(17-7-3-1-4-8-17)27-23(28)11-5-2-6-12-23/h1,3-4,7-10,13H,2,5-6,11-12,14-15H2,(H,26,29)
InChIKeyWFANDWZLLDFAOW-UHFFFAOYSA-N
MW427.91 g/mol
LogP4.09
Rot. Bonds5

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

N-[(3-chloro-4-fluorophenyl)methyl]-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide (PubChem CID 53366888) has the molecular formula C23H23ClFN3O2 and a molecular weight of 427.91 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide
PubChem CID53366888
Molecular FormulaC23H23ClFN3O2
Molecular Weight427.91 g/mol
Exact Mass427.15
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide
SMILESO=C(CN1C(=O)C(c2ccccc2)=NC12CCCCC2)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C23H23ClFN3O2/c24-18-13-16(9-10-19(18)25)14-26-20(29)15-28-22(30)21(17-7-3-1-4-8-17)27-23(28)11-5-2-6-12-23/h1,3-4,7-10,13H,2,5-6,11-12,14-15H2,(H,26,29)
InChIKeyWFANDWZLLDFAOW-UHFFFAOYSA-N
XLogP4.09
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.91
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.4]non-1-en-4-yl)acetamide
CID 91891056
N-benzyl-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
CID 53490388
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide
CID 53366847
N-(4-chloro-2-fluorophenyl)-2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide
CID 53366771
N-(3-chloro-4-methoxyphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)acetamide
CID 2141006
2-[2-(4-chlorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-cyclohexylacetamide
CID 24995540
2-[2-(4-chlorophenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-(3-cyano-4-fluorophenyl)acetamide
CID 24746654
2-(4-chlorophenyl)-4-(2-oxopropyl)-1,4-diazaspiro[4.5]dec-1-en-3-one;ethane
CID 143400887
2-[2-(3-chlorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(2-methoxyphenyl)acetamide
CID 24743552
2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]-N-(2-methylphenyl)acetamide;2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)-N-phenylacetamide
CID 160593756
2-[2-(4-chlorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(3-methylsulfinylphenyl)acetamide
CID 143538723
2-(4-chlorophenyl)-4-[2-[2-(iodomethoxy)phenyl]-2-oxoethyl]-1,4-diazaspiro[4.5]dec-1-en-3-one
CID 89102908

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide (CID 53366888) is N-[(3-chloro-4-fluorophenyl)methyl]-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide is O=C(CN1C(=O)C(c2ccccc2)=NC12CCCCC2)NCc1ccc(F)c(Cl)c1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide?
The InChIKey is WFANDWZLLDFAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFN3O2/c24-18-13-16(9-10-19(18)25)14-26-20(29)15-28-22(30)21(17-7-3-1-4-8-17)27-23(28)11-5-2-6-12-23/h1,3-4,7-10,13H,2,5-6,11-12,14-15H2,(H,26,29).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide?
N-[(3-chloro-4-fluorophenyl)methyl]-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide has a molecular weight of 427.91 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide is sourced from PubChem (CID 53366888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).