2-[3-[(1-fluorocyclopropyl)methyl]-2,4-dioxoimidazolidin-1-yl]-N,N-dimethylacetamide

C11H16FN3O3 — CID 146100740

IUPAC2-[3-[(1-fluorocyclopropyl)methyl]-2,4-dioxoimidazolidin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CC(=O)N(CC2(F)CC2)C1=O
InChIInChI=1S/C11H16FN3O3/c1-13(2)8(16)5-14-6-9(17)15(10(14)18)7-11(12)3-4-11/h3-7H2,1-2H3
InChIKeyJJBIINMGIPCMKG-UHFFFAOYSA-N
MW257.26 g/mol
LogP-0.16
Rot. Bonds4

About 2-[3-[(1-fluorocyclopropyl)methyl]-2,4-dioxoimidazolidin-1-yl]-N,N-dimethylacetamide

2-[3-[(1-fluorocyclopropyl)methyl]-2,4-dioxoimidazolidin-1-yl]-N,N-dimethylacetamide (PubChem CID 146100740) has the molecular formula C11H16FN3O3 and a molecular weight of 257.26 g/mol. Its IUPAC name is 2-[3-[(1-fluorocyclopropyl)methyl]-2,4-dioxoimidazolidin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[3-[(1-fluorocyclopropyl)methyl]-2,4-dioxoimidazolidin-1-yl]-N,N-dimethylacetamide
PubChem CID146100740
Molecular FormulaC11H16FN3O3
Molecular Weight257.26 g/mol
Exact Mass257.12
IUPAC Name2-[3-[(1-fluorocyclopropyl)methyl]-2,4-dioxoimidazolidin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CC(=O)N(CC2(F)CC2)C1=O
InChIInChI=1S/C11H16FN3O3/c1-13(2)8(16)5-14-6-9(17)15(10(14)18)7-11(12)3-4-11/h3-7H2,1-2H3
InChIKeyJJBIINMGIPCMKG-UHFFFAOYSA-N
XLogP-0.16
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
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 2-[3-[(1-fluorocyclopropyl)methyl]-2,4-dioxoimidazolidin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[3-[(1-fluorocyclopropyl)methyl]-2,4-dioxoimidazolidin-1-yl]-N,N-dimethylacetamide (CID 146100740) is 2-[3-[(1-fluorocyclopropyl)methyl]-2,4-dioxoimidazolidin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[3-[(1-fluorocyclopropyl)methyl]-2,4-dioxoimidazolidin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[3-[(1-fluorocyclopropyl)methyl]-2,4-dioxoimidazolidin-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CC(=O)N(CC2(F)CC2)C1=O.
What is the InChIKey of 2-[3-[(1-fluorocyclopropyl)methyl]-2,4-dioxoimidazolidin-1-yl]-N,N-dimethylacetamide?
The InChIKey is JJBIINMGIPCMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O3/c1-13(2)8(16)5-14-6-9(17)15(10(14)18)7-11(12)3-4-11/h3-7H2,1-2H3.
What are the key properties of 2-[3-[(1-fluorocyclopropyl)methyl]-2,4-dioxoimidazolidin-1-yl]-N,N-dimethylacetamide?
2-[3-[(1-fluorocyclopropyl)methyl]-2,4-dioxoimidazolidin-1-yl]-N,N-dimethylacetamide has a molecular weight of 257.26 g/mol, XLogP of -0.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1-fluorocyclopropyl)methyl]-2,4-dioxoimidazolidin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 146100740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).