N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)-4-(trifluoromethyl)benzamide

C15H14F3N3O3 — CID 50907076

IUPACN-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)-4-(trifluoromethyl)benzamide
SMILESCC1(C)CC12NC(=O)N(NC(=O)c1ccc(C(F)(F)F)cc1)C2=O
InChIInChI=1S/C15H14F3N3O3/c1-13(2)7-14(13)11(23)21(12(24)19-14)20-10(22)8-3-5-9(6-4-8)15(16,17)18/h3-6H,7H2,1-2H3,(H,19,24)(H,20,22)
InChIKeyKEKLRKPHUHUDKR-UHFFFAOYSA-N
MW341.29 g/mol
LogP2.07
Rot. Bonds2

About N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)-4-(trifluoromethyl)benzamide

N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)-4-(trifluoromethyl)benzamide (PubChem CID 50907076) has the molecular formula C15H14F3N3O3 and a molecular weight of 341.29 g/mol. Its IUPAC name is N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)-4-(trifluoromethyl)benzamide
PubChem CID50907076
Molecular FormulaC15H14F3N3O3
Molecular Weight341.29 g/mol
Exact Mass341.10
IUPAC NameN-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)-4-(trifluoromethyl)benzamide
SMILESCC1(C)CC12NC(=O)N(NC(=O)c1ccc(C(F)(F)F)cc1)C2=O
InChIInChI=1S/C15H14F3N3O3/c1-13(2)7-14(13)11(23)21(12(24)19-14)20-10(22)8-3-5-9(6-4-8)15(16,17)18/h3-6H,7H2,1-2H3,(H,19,24)(H,20,22)
InChIKeyKEKLRKPHUHUDKR-UHFFFAOYSA-N
XLogP2.07
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)-4-(trifluoromethyl)benzamide (CID 50907076) is N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)-4-(trifluoromethyl)benzamide is CC1(C)CC12NC(=O)N(NC(=O)c1ccc(C(F)(F)F)cc1)C2=O.
What is the InChIKey of N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is KEKLRKPHUHUDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O3/c1-13(2)7-14(13)11(23)21(12(24)19-14)20-10(22)8-3-5-9(6-4-8)15(16,17)18/h3-6H,7H2,1-2H3,(H,19,24)(H,20,22).
What are the key properties of N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)-4-(trifluoromethyl)benzamide?
N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 341.29 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 50907076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).