4-tert-butyl-N-[(4R)-1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide

C20H24F3N3O3 — CID 42578055

IUPAC4-tert-butyl-N-[(4R)-1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)N[C@@]2(C(F)(F)F)NC(=O)N(C3CCCC3)C2=O)cc1
InChIInChI=1S/C20H24F3N3O3/c1-18(2,3)13-10-8-12(9-11-13)15(27)24-19(20(21,22)23)16(28)26(17(29)25-19)14-6-4-5-7-14/h8-11,14H,4-7H2,1-3H3,(H,24,27)(H,25,29)/t19-/m1/s1
InChIKeyICUCIELICHLVMF-LJQANCHMSA-N
MW411.42 g/mol
LogP3.47
Rot. Bonds3

About 4-tert-butyl-N-[(4R)-1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide

4-tert-butyl-N-[(4R)-1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide (PubChem CID 42578055) has the molecular formula C20H24F3N3O3 and a molecular weight of 411.42 g/mol. Its IUPAC name is 4-tert-butyl-N-[(4R)-1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(4R)-1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
PubChem CID42578055
Molecular FormulaC20H24F3N3O3
Molecular Weight411.42 g/mol
Exact Mass411.18
IUPAC Name4-tert-butyl-N-[(4R)-1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)N[C@@]2(C(F)(F)F)NC(=O)N(C3CCCC3)C2=O)cc1
InChIInChI=1S/C20H24F3N3O3/c1-18(2,3)13-10-8-12(9-11-13)15(27)24-19(20(21,22)23)16(28)26(17(29)25-19)14-6-4-5-7-14/h8-11,14H,4-7H2,1-3H3,(H,24,27)(H,25,29)/t19-/m1/s1
InChIKeyICUCIELICHLVMF-LJQANCHMSA-N
XLogP3.47
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4R)-1-cycloheptyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-propan-2-yloxybenzamide
CID 2016032
N-[(4S)-1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide
CID 42558546
N-[(4R)-1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-phenylacetamide
CID 41062638
N-[(4S)-1-cycloheptyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,4-dimethoxybenzamide
CID 2002483
methyl 4-[(4-tert-butylbenzoyl)amino]-1-cyclopentyl-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate
CID 16764002
4-tert-butyl-N-[(4R)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 51506286
4-tert-butyl-N-[(4S)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 51506287
4-tert-butyl-N-[(4S)-2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 2223330
4-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 46500658
4-tert-butyl-N-[(1R,2S)-2-[(4-tert-butylbenzoyl)amino]cyclohexyl]benzamide
CID 7311333
N-[(4S)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methoxybenzamide
CID 41063050
N-[(4S)-1-(4-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 2043412

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(4R)-1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[(4R)-1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide (CID 42578055) is 4-tert-butyl-N-[(4R)-1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[(4R)-1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[(4R)-1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide is CC(C)(C)c1ccc(C(=O)N[C@@]2(C(F)(F)F)NC(=O)N(C3CCCC3)C2=O)cc1.
What is the InChIKey of 4-tert-butyl-N-[(4R)-1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide?
The InChIKey is ICUCIELICHLVMF-LJQANCHMSA-N. The full InChI is InChI=1S/C20H24F3N3O3/c1-18(2,3)13-10-8-12(9-11-13)15(27)24-19(20(21,22)23)16(28)26(17(29)25-19)14-6-4-5-7-14/h8-11,14H,4-7H2,1-3H3,(H,24,27)(H,25,29)/t19-/m1/s1.
What are the key properties of 4-tert-butyl-N-[(4R)-1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide?
4-tert-butyl-N-[(4R)-1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide has a molecular weight of 411.42 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(4R)-1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide is sourced from PubChem (CID 42578055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).