2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide

C21H20F3N3O4 — CID 2089932

IUPAC2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1=O
InChIInChI=1S/C21H20F3N3O4/c1-2-12-20(14-6-4-3-5-7-14)18(29)27(19(30)26-20)13-17(28)25-15-8-10-16(11-9-15)31-21(22,23)24/h3-11H,2,12-13H2,1H3,(H,25,28)(H,26,30)/t20-/m1/s1
InChIKeyDONKNMYSEZLUQR-HXUWFJFHSA-N
MW435.40 g/mol
LogP3.77
Rot. Bonds7

About 2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide

2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 2089932) has the molecular formula C21H20F3N3O4 and a molecular weight of 435.40 g/mol. Its IUPAC name is 2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID2089932
Molecular FormulaC21H20F3N3O4
Molecular Weight435.40 g/mol
Exact Mass435.14
IUPAC Name2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1=O
InChIInChI=1S/C21H20F3N3O4/c1-2-12-20(14-6-4-3-5-7-14)18(29)27(19(30)26-20)13-17(28)25-15-8-10-16(11-9-15)31-21(22,23)24/h3-11H,2,12-13H2,1H3,(H,25,28)(H,26,30)/t20-/m1/s1
InChIKeyDONKNMYSEZLUQR-HXUWFJFHSA-N
XLogP3.77
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.40
LogP ≤ 53.77
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

2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 4081516
2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 2082745
2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-(4-ethylphenyl)acetamide
CID 2585532
2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-N-(4-methylsulfanylphenyl)acetamide
CID 24566026
2-[(4R)-4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 41123926
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 3666642
2-[(4R)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 7916875
2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 41114565
2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 24683758
N-(3-acetylphenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 2703685
N-(3-chlorophenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 2585526
N-tert-butyl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 2585330

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 2089932) is 2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1=O.
What is the InChIKey of 2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is DONKNMYSEZLUQR-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H20F3N3O4/c1-2-12-20(14-6-4-3-5-7-14)18(29)27(19(30)26-20)13-17(28)25-15-8-10-16(11-9-15)31-21(22,23)24/h3-11H,2,12-13H2,1H3,(H,25,28)(H,26,30)/t20-/m1/s1.
What are the key properties of 2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 435.40 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 2089932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).