4-(2,5-dioxoimidazolidin-1-yl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]butanamide

C15H15F4N3O3 — CID 87045407

IUPAC4-(2,5-dioxoimidazolidin-1-yl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]butanamide
SMILESO=C(CCCN1C(=O)CNC1=O)NCc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C15H15F4N3O3/c16-10-4-3-9(11(6-10)15(17,18)19)7-20-12(23)2-1-5-22-13(24)8-21-14(22)25/h3-4,6H,1-2,5,7-8H2,(H,20,23)(H,21,25)
InChIKeyHSKXADGGBSDASI-UHFFFAOYSA-N
MW361.30 g/mol
LogP1.79
Rot. Bonds6

About 4-(2,5-dioxoimidazolidin-1-yl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]butanamide

4-(2,5-dioxoimidazolidin-1-yl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]butanamide (PubChem CID 87045407) has the molecular formula C15H15F4N3O3 and a molecular weight of 361.30 g/mol. Its IUPAC name is 4-(2,5-dioxoimidazolidin-1-yl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-(2,5-dioxoimidazolidin-1-yl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]butanamide
PubChem CID87045407
Molecular FormulaC15H15F4N3O3
Molecular Weight361.30 g/mol
Exact Mass361.10
IUPAC Name4-(2,5-dioxoimidazolidin-1-yl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]butanamide
SMILESO=C(CCCN1C(=O)CNC1=O)NCc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C15H15F4N3O3/c16-10-4-3-9(11(6-10)15(17,18)19)7-20-12(23)2-1-5-22-13(24)8-21-14(22)25/h3-4,6H,1-2,5,7-8H2,(H,20,23)(H,21,25)
InChIKeyHSKXADGGBSDASI-UHFFFAOYSA-N
XLogP1.79
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.30
LogP ≤ 51.79
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 4-(2,5-dioxoimidazolidin-1-yl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]butanamide?
The IUPAC name of 4-(2,5-dioxoimidazolidin-1-yl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]butanamide (CID 87045407) is 4-(2,5-dioxoimidazolidin-1-yl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]butanamide.
What is the SMILES notation for 4-(2,5-dioxoimidazolidin-1-yl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]butanamide?
The canonical SMILES for 4-(2,5-dioxoimidazolidin-1-yl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]butanamide is O=C(CCCN1C(=O)CNC1=O)NCc1ccc(F)cc1C(F)(F)F.
What is the InChIKey of 4-(2,5-dioxoimidazolidin-1-yl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]butanamide?
The InChIKey is HSKXADGGBSDASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F4N3O3/c16-10-4-3-9(11(6-10)15(17,18)19)7-20-12(23)2-1-5-22-13(24)8-21-14(22)25/h3-4,6H,1-2,5,7-8H2,(H,20,23)(H,21,25).
What are the key properties of 4-(2,5-dioxoimidazolidin-1-yl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]butanamide?
4-(2,5-dioxoimidazolidin-1-yl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]butanamide has a molecular weight of 361.30 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxoimidazolidin-1-yl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]butanamide is sourced from PubChem (CID 87045407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).