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

C14H14FN3O3 — CID 50907075

IUPACN-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)-2-fluorobenzamide
SMILESCC1(C)CC12NC(=O)N(NC(=O)c1ccccc1F)C2=O
InChIInChI=1S/C14H14FN3O3/c1-13(2)7-14(13)11(20)18(12(21)16-14)17-10(19)8-5-3-4-6-9(8)15/h3-6H,7H2,1-2H3,(H,16,21)(H,17,19)
InChIKeyMIESLQCGSTVTDP-UHFFFAOYSA-N
MW291.28 g/mol
LogP1.19
Rot. Bonds2

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

N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)-2-fluorobenzamide (PubChem CID 50907075) has the molecular formula C14H14FN3O3 and a molecular weight of 291.28 g/mol. Its IUPAC name is N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)-2-fluorobenzamide
PubChem CID50907075
Molecular FormulaC14H14FN3O3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC NameN-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)-2-fluorobenzamide
SMILESCC1(C)CC12NC(=O)N(NC(=O)c1ccccc1F)C2=O
InChIInChI=1S/C14H14FN3O3/c1-13(2)7-14(13)11(20)18(12(21)16-14)17-10(19)8-5-3-4-6-9(8)15/h3-6H,7H2,1-2H3,(H,16,21)(H,17,19)
InChIKeyMIESLQCGSTVTDP-UHFFFAOYSA-N
XLogP1.19
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 51.19
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)-2-fluorobenzamide?
The IUPAC name of N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)-2-fluorobenzamide (CID 50907075) is N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)-2-fluorobenzamide.
What is the SMILES notation for N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)-2-fluorobenzamide?
The canonical SMILES for N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)-2-fluorobenzamide is CC1(C)CC12NC(=O)N(NC(=O)c1ccccc1F)C2=O.
What is the InChIKey of N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)-2-fluorobenzamide?
The InChIKey is MIESLQCGSTVTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O3/c1-13(2)7-14(13)11(20)18(12(21)16-14)17-10(19)8-5-3-4-6-9(8)15/h3-6H,7H2,1-2H3,(H,16,21)(H,17,19).
What are the key properties of N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)-2-fluorobenzamide?
N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)-2-fluorobenzamide has a molecular weight of 291.28 g/mol, XLogP of 1.19, 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)-2-fluorobenzamide is sourced from PubChem (CID 50907075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).