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

C13H14F3N3O4 — CID 2962308

IUPACN-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide
SMILESCCCCN1C(=O)NC(NC(=O)c2ccco2)(C(F)(F)F)C1=O
InChIInChI=1S/C13H14F3N3O4/c1-2-3-6-19-10(21)12(13(14,15)16,18-11(19)22)17-9(20)8-5-4-7-23-8/h4-5,7H,2-3,6H2,1H3,(H,17,20)(H,18,22)
InChIKeyWFQWNMDWYVPVFI-UHFFFAOYSA-N
MW333.27 g/mol
LogP1.62
Rot. Bonds5

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

N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide (PubChem CID 2962308) has the molecular formula C13H14F3N3O4 and a molecular weight of 333.27 g/mol. Its IUPAC name is N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide
PubChem CID2962308
Molecular FormulaC13H14F3N3O4
Molecular Weight333.27 g/mol
Exact Mass333.09
IUPAC NameN-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide
SMILESCCCCN1C(=O)NC(NC(=O)c2ccco2)(C(F)(F)F)C1=O
InChIInChI=1S/C13H14F3N3O4/c1-2-3-6-19-10(21)12(13(14,15)16,18-11(19)22)17-9(20)8-5-4-7-23-8/h4-5,7H,2-3,6H2,1H3,(H,17,20)(H,18,22)
InChIKeyWFQWNMDWYVPVFI-UHFFFAOYSA-N
XLogP1.62
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Furoyl)piperazine
CID 550206
4-(Furan-2-carbonyl)piperazine-1-carboxamide
CID 762331
4-Acetyl 1-(2-furoyl)piperazine
CID 565340
N-(2-Furoyl)glycine methyl ester
CID 518748
N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide
CID 4591666
1-(Furan-2-carbonyl)imidazolidin-2-one
CID 1266917
1-(Furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione
CID 2269367
N,N'-Difurfuryloxamide
CID 330826
1,4-Bis(furan-2-ylcarbonyl)piperazine
CID 336735
(2S)-2-(furan-2-ylformamido)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide
CID 25093405
4-(2-Furylcarbonyl)piperazinyl pyrrolidinyl ketone
CID 971283
fur-2-oyl-Val-N(Et)Gly-NHiPr
CID 2650177

Frequently Asked Questions

What is the IUPAC name of N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide?
The IUPAC name of N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide (CID 2962308) is N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide is CCCCN1C(=O)NC(NC(=O)c2ccco2)(C(F)(F)F)C1=O.
What is the InChIKey of N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide?
The InChIKey is WFQWNMDWYVPVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O4/c1-2-3-6-19-10(21)12(13(14,15)16,18-11(19)22)17-9(20)8-5-4-7-23-8/h4-5,7H,2-3,6H2,1H3,(H,17,20)(H,18,22).
What are the key properties of N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide?
N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide has a molecular weight of 333.27 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide is sourced from PubChem (CID 2962308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).