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

C23H23ClFN3O2 — CID 53366771

IUPACN-(4-chloro-2-fluorophenyl)-2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide
SMILESCC1CCC2(CC1)N=C(c1ccccc1)C(=O)N2CC(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C23H23ClFN3O2/c1-15-9-11-23(12-10-15)27-21(16-5-3-2-4-6-16)22(30)28(23)14-20(29)26-19-8-7-17(24)13-18(19)25/h2-8,13,15H,9-12,14H2,1H3,(H,26,29)
InChIKeyMSNINDGUEUAMQE-UHFFFAOYSA-N
MW427.91 g/mol
LogP4.66
Rot. Bonds4

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

N-(4-chloro-2-fluorophenyl)-2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide (PubChem CID 53366771) has the molecular formula C23H23ClFN3O2 and a molecular weight of 427.91 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide
PubChem CID53366771
Molecular FormulaC23H23ClFN3O2
Molecular Weight427.91 g/mol
Exact Mass427.15
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide
SMILESCC1CCC2(CC1)N=C(c1ccccc1)C(=O)N2CC(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C23H23ClFN3O2/c1-15-9-11-23(12-10-15)27-21(16-5-3-2-4-6-16)22(30)28(23)14-20(29)26-19-8-7-17(24)13-18(19)25/h2-8,13,15H,9-12,14H2,1H3,(H,26,29)
InChIKeyMSNINDGUEUAMQE-UHFFFAOYSA-N
XLogP4.66
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.91
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide
CID 53366779
2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 53366764
2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 53366759
2-[2-(3-chlorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(2-methoxyphenyl)acetamide
CID 24743552
N-(2,3-dimethylphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.4]non-1-en-4-yl)acetamide
CID 91891070
2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 53366889
N-(2,3-dimethylphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide
CID 53366880
N-(2,5-dimethoxyphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.4]non-1-en-4-yl)acetamide
CID 91891060
2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(2,4,5-trifluorophenyl)acetamide
CID 24746340
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
N-[(2-chlorophenyl)methyl]-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.4]non-1-en-4-yl)acetamide
CID 91891056
N-(2-fluoro-5-methylphenyl)-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
CID 24743623

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide?
The IUPAC name of 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) is N-(4-chloro-2-fluorophenyl)-2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide is CC1CCC2(CC1)N=C(c1ccccc1)C(=O)N2CC(=O)Nc1ccc(Cl)cc1F.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide?
The InChIKey is MSNINDGUEUAMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFN3O2/c1-15-9-11-23(12-10-15)27-21(16-5-3-2-4-6-16)22(30)28(23)14-20(29)26-19-8-7-17(24)13-18(19)25/h2-8,13,15H,9-12,14H2,1H3,(H,26,29).
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide?
N-(4-chloro-2-fluorophenyl)-2-(8-methyl-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 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide is sourced from PubChem (CID 53366771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).