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

C14H14F3N3O4 — CID 42558546

IUPACN-[(4S)-1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide
SMILESO=C(N[C@]1(C(F)(F)F)NC(=O)N(C2CCCC2)C1=O)c1ccco1
InChIInChI=1S/C14H14F3N3O4/c15-14(16,17)13(18-10(21)9-6-3-7-24-9)11(22)20(12(23)19-13)8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H,18,21)(H,19,23)/t13-/m0/s1
InChIKeyYCXLRKFSIQISKS-ZDUSSCGKSA-N
MW345.28 g/mol
LogP1.76
Rot. Bonds3

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

N-[(4S)-1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide (PubChem CID 42558546) has the molecular formula C14H14F3N3O4 and a molecular weight of 345.28 g/mol. Its IUPAC name is N-[(4S)-1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(4S)-1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide
PubChem CID42558546
Molecular FormulaC14H14F3N3O4
Molecular Weight345.28 g/mol
Exact Mass345.09
IUPAC NameN-[(4S)-1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide
SMILESO=C(N[C@]1(C(F)(F)F)NC(=O)N(C2CCCC2)C1=O)c1ccco1
InChIInChI=1S/C14H14F3N3O4/c15-14(16,17)13(18-10(21)9-6-3-7-24-9)11(22)20(12(23)19-13)8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H,18,21)(H,19,23)/t13-/m0/s1
InChIKeyYCXLRKFSIQISKS-ZDUSSCGKSA-N
XLogP1.76
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 51.76
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

4-tert-butyl-N-[(4R)-1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 42578055
N-[(4R)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide
CID 7044502
N-[(4S)-1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclohexanecarboxamide
CID 42554329
N-[(4S)-2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide
CID 42558547
N-[(6S)-5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]furan-2-carboxamide
CID 7013804
N-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide
CID 7012722
2-chloro-N-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 7291568
N-[(1R,2R)-2-hydroxycyclohexyl]furan-2-carboxamide
CID 27126578
N-cyclooctylfuran-2-carboxamide
CID 790432
N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]furan-2-carboxamide
CID 2001802
N-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]furan-2-carboxamide
CID 51542640
N-cyclopentyloxyfuran-2-carboxamide
CID 83201943

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide?
The IUPAC name of N-[(4S)-1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide (CID 42558546) is N-[(4S)-1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(4S)-1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide?
The canonical SMILES for N-[(4S)-1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide is O=C(N[C@]1(C(F)(F)F)NC(=O)N(C2CCCC2)C1=O)c1ccco1.
What is the InChIKey of N-[(4S)-1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide?
The InChIKey is YCXLRKFSIQISKS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H14F3N3O4/c15-14(16,17)13(18-10(21)9-6-3-7-24-9)11(22)20(12(23)19-13)8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H,18,21)(H,19,23)/t13-/m0/s1.
What are the key properties of N-[(4S)-1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide?
N-[(4S)-1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide has a molecular weight of 345.28 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide is sourced from PubChem (CID 42558546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).