N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide

C20H17ClF3N3O3 — CID 25352322

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
SMILESCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O
InChIInChI=1S/C20H17ClF3N3O3/c1-2-19(12-6-4-3-5-7-12)17(29)27(18(30)26-19)11-16(28)25-15-9-8-13(21)10-14(15)20(22,23)24/h3-10H,2,11H2,1H3,(H,25,28)(H,26,30)/t19-/m1/s1
InChIKeyFURSTHMHXONBQW-LJQANCHMSA-N
MW439.82 g/mol
LogP4.15
Rot. Bonds5

About N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide (PubChem CID 25352322) has the molecular formula C20H17ClF3N3O3 and a molecular weight of 439.82 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
PubChem CID25352322
Molecular FormulaC20H17ClF3N3O3
Molecular Weight439.82 g/mol
Exact Mass439.09
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
SMILESCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O
InChIInChI=1S/C20H17ClF3N3O3/c1-2-19(12-6-4-3-5-7-12)17(29)27(18(30)26-19)11-16(28)25-15-9-8-13(21)10-14(15)20(22,23)24/h3-10H,2,11H2,1H3,(H,25,28)(H,26,30)/t19-/m1/s1
InChIKeyFURSTHMHXONBQW-LJQANCHMSA-N
XLogP4.15
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.82
LogP ≤ 54.15
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-(2-benzoyl-4-chlorophenyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 41209043
2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 2582755
N-(4-chlorophenyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7179775
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 2582848
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide
CID 16545970
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 40942610
N-(5-chloro-2-piperidin-1-ylphenyl)-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 26292277
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2449682
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(3R)-2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl]acetamide
CID 2405086
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(3S)-2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl]acetamide
CID 2405087
N-[(3-chlorophenyl)methyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7242669
2-[(4R)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide
CID 41208231

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide (CID 25352322) is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide is CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The InChIKey is FURSTHMHXONBQW-LJQANCHMSA-N. The full InChI is InChI=1S/C20H17ClF3N3O3/c1-2-19(12-6-4-3-5-7-12)17(29)27(18(30)26-19)11-16(28)25-15-9-8-13(21)10-14(15)20(22,23)24/h3-10H,2,11H2,1H3,(H,25,28)(H,26,30)/t19-/m1/s1.
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide has a molecular weight of 439.82 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide is sourced from PubChem (CID 25352322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).