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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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).