N-(4-chlorophenyl)-N-ethyl-1-oxo-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-8-carboxamide

C24H25ClF3N3O3 — CID 59578017

About N-(4-chlorophenyl)-N-ethyl-1-oxo-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-8-carboxamide

N-(4-chlorophenyl)-N-ethyl-1-oxo-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 59578017) has the molecular formula C24H25ClF3N3O3 and a molecular weight of 495.93 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-ethyl-1-oxo-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

• Compound Name: N-(4-chlorophenyl)-N-ethyl-1-oxo-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-8-carboxamide
• PubChem CID: 59578017
• Molecular Formula: C24H25ClF3N3O3
• Molecular Weight: 495.93 g/mol
• Exact Mass: 495.15
• IUPAC Name: N-(4-chlorophenyl)-N-ethyl-1-oxo-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-8-carboxamide
• SMILES: CCN(C(=O)N1CCC2(CC1)CCN(c1ccc(OC(F)(F)F)cc1)C2=O)c1ccc(Cl)cc1
• InChI: InChI=1S/C24H25ClF3N3O3/c1-2-30(18-5-3-17(25)4-6-18)22(33)29-14-11-23(12-15-29)13-16-31(21(23)32)19-7-9-20(10-8-19)34-24(26,27)28/h3-10H,2,11-16H2,1H3
• InChIKey: UHPCLOGEVYPRFQ-UHFFFAOYSA-N
• XLogP: 5.70
• TPSA: 53.09 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.93
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-ethyl-1-oxo-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-8-carboxamide?

The IUPAC name of N-(4-chlorophenyl)-N-ethyl-1-oxo-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-8-carboxamide (CID 59578017) is N-(4-chlorophenyl)-N-ethyl-1-oxo-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-8-carboxamide.

What is the SMILES notation for N-(4-chlorophenyl)-N-ethyl-1-oxo-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-8-carboxamide?

The canonical SMILES for N-(4-chlorophenyl)-N-ethyl-1-oxo-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-8-carboxamide is CCN(C(=O)N1CCC2(CC1)CCN(c1ccc(OC(F)(F)F)cc1)C2=O)c1ccc(Cl)cc1.

What is the InChIKey of N-(4-chlorophenyl)-N-ethyl-1-oxo-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-8-carboxamide?

The InChIKey is UHPCLOGEVYPRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClF3N3O3/c1-2-30(18-5-3-17(25)4-6-18)22(33)29-14-11-23(12-15-29)13-16-31(21(23)32)19-7-9-20(10-8-19)34-24(26,27)28/h3-10H,2,11-16H2,1H3.

What are the key properties of N-(4-chlorophenyl)-N-ethyl-1-oxo-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-8-carboxamide?

N-(4-chlorophenyl)-N-ethyl-1-oxo-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 495.93 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chlorophenyl)-N-ethyl-1-oxo-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 59578017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).