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

C16H18F3N3O4 — CID 663976

IUPACN-[1-(cyclohexylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide
SMILESO=C(NC1(C(F)(F)F)NC(=O)N(CC2CCCCC2)C1=O)c1ccco1
InChIInChI=1S/C16H18F3N3O4/c17-16(18,19)15(20-12(23)11-7-4-8-26-11)13(24)22(14(25)21-15)9-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H,20,23)(H,21,25)
InChIKeyVOKFQDFDAZVPOY-UHFFFAOYSA-N
MW373.33 g/mol
LogP2.40
Rot. Bonds4

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

N-[1-(cyclohexylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide (PubChem CID 663976) has the molecular formula C16H18F3N3O4 and a molecular weight of 373.33 g/mol. Its IUPAC name is N-[1-(cyclohexylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclohexylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide
PubChem CID663976
Molecular FormulaC16H18F3N3O4
Molecular Weight373.33 g/mol
Exact Mass373.12
IUPAC NameN-[1-(cyclohexylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide
SMILESO=C(NC1(C(F)(F)F)NC(=O)N(CC2CCCCC2)C1=O)c1ccco1
InChIInChI=1S/C16H18F3N3O4/c17-16(18,19)15(20-12(23)11-7-4-8-26-11)13(24)22(14(25)21-15)9-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H,20,23)(H,21,25)
InChIKeyVOKFQDFDAZVPOY-UHFFFAOYSA-N
XLogP2.40
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 52.40
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

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
N-[1-benzyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]furan-2-carboxamide
CID 3837456
(2S)-2-(furan-2-ylformamido)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide
CID 25093405
N-[2-phenyl-1-(1-piperidinylcarbonyl)vinyl]-2-furamide
CID 738317
4-(2-Furylcarbonyl)piperazinyl pyrrolidinyl ketone
CID 971283
fur-2-oyl-Val-N(Et)Gly-NHiPr
CID 2650177
N-(2-methylcyclohexyl)-2-furamide
CID 2787939
N-{2-[(4-methylcyclohexyl)amino]ethyl}furan-2-carboxamide
CID 3156885
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 4790928
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 16301230
2-[1-(3,4-difluorophenyl)ethylamino]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 16333723

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide?
The IUPAC name of N-[1-(cyclohexylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide (CID 663976) is N-[1-(cyclohexylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(cyclohexylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-(cyclohexylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide is O=C(NC1(C(F)(F)F)NC(=O)N(CC2CCCCC2)C1=O)c1ccco1.
What is the InChIKey of N-[1-(cyclohexylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide?
The InChIKey is VOKFQDFDAZVPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O4/c17-16(18,19)15(20-12(23)11-7-4-8-26-11)13(24)22(14(25)21-15)9-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H,20,23)(H,21,25).
What are the key properties of N-[1-(cyclohexylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide?
N-[1-(cyclohexylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide has a molecular weight of 373.33 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide is sourced from PubChem (CID 663976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).