N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide

C10H14F3N3O3 — CID 2968525

IUPACN-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide
SMILESCCCCN1C(=O)NC(NC(C)=O)(C(F)(F)F)C1=O
InChIInChI=1S/C10H14F3N3O3/c1-3-4-5-16-7(18)9(10(11,12)13,14-6(2)17)15-8(16)19/h3-5H2,1-2H3,(H,14,17)(H,15,19)
InChIKeyWDVXIQFXIXGDMU-UHFFFAOYSA-N
MW281.23 g/mol
LogP0.73
Rot. Bonds4

About N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide

N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide (PubChem CID 2968525) has the molecular formula C10H14F3N3O3 and a molecular weight of 281.23 g/mol. Its IUPAC name is N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide
PubChem CID2968525
Molecular FormulaC10H14F3N3O3
Molecular Weight281.23 g/mol
Exact Mass281.10
IUPAC NameN-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide
SMILESCCCCN1C(=O)NC(NC(C)=O)(C(F)(F)F)C1=O
InChIInChI=1S/C10H14F3N3O3/c1-3-4-5-16-7(18)9(10(11,12)13,14-6(2)17)15-8(16)19/h3-5H2,1-2H3,(H,14,17)(H,15,19)
InChIKeyWDVXIQFXIXGDMU-UHFFFAOYSA-N
XLogP0.73
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 50.73
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-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide?
The IUPAC name of N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide (CID 2968525) is N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide.
What is the SMILES notation for N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide?
The canonical SMILES for N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide is CCCCN1C(=O)NC(NC(C)=O)(C(F)(F)F)C1=O.
What is the InChIKey of N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide?
The InChIKey is WDVXIQFXIXGDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O3/c1-3-4-5-16-7(18)9(10(11,12)13,14-6(2)17)15-8(16)19/h3-5H2,1-2H3,(H,14,17)(H,15,19).
What are the key properties of N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide?
N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide has a molecular weight of 281.23 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide is sourced from PubChem (CID 2968525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).