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

C15H16F3N3O4 — CID 4591666

IUPACN-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide
SMILESO=C(NC1(C(F)(F)F)NC(=O)N(C2CCCCC2)C1=O)c1ccco1
InChIInChI=1S/C15H16F3N3O4/c16-15(17,18)14(19-11(22)10-7-4-8-25-10)12(23)21(13(24)20-14)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,19,22)(H,20,24)
InChIKeyYKMOXNDVNARZFW-UHFFFAOYSA-N
MW359.30 g/mol
LogP2.15
Rot. Bonds3

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

N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide (PubChem CID 4591666) has the molecular formula C15H16F3N3O4 and a molecular weight of 359.30 g/mol. Its IUPAC name is N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide
PubChem CID4591666
Molecular FormulaC15H16F3N3O4
Molecular Weight359.30 g/mol
Exact Mass359.11
IUPAC NameN-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide
SMILESO=C(NC1(C(F)(F)F)NC(=O)N(C2CCCCC2)C1=O)c1ccco1
InChIInChI=1S/C15H16F3N3O4/c16-15(17,18)14(19-11(22)10-7-4-8-25-10)12(23)21(13(24)20-14)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,19,22)(H,20,24)
InChIKeyYKMOXNDVNARZFW-UHFFFAOYSA-N
XLogP2.15
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide?
The IUPAC name of N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide (CID 4591666) is N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide is O=C(NC1(C(F)(F)F)NC(=O)N(C2CCCCC2)C1=O)c1ccco1.
What is the InChIKey of N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide?
The InChIKey is YKMOXNDVNARZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O4/c16-15(17,18)14(19-11(22)10-7-4-8-25-10)12(23)21(13(24)20-14)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,19,22)(H,20,24).
What are the key properties of N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide?
N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide has a molecular weight of 359.30 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide is sourced from PubChem (CID 4591666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).