N-[4-bromo-3-(trifluoromethyl)phenyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide

C20H17BrF3N3O3 — CID 40942610

IUPACN-[4-bromo-3-(trifluoromethyl)phenyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
SMILESCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)C1=O
InChIInChI=1S/C20H17BrF3N3O3/c1-2-19(12-6-4-3-5-7-12)17(29)27(18(30)26-19)11-16(28)25-13-8-9-15(21)14(10-13)20(22,23)24/h3-10H,2,11H2,1H3,(H,25,28)(H,26,30)/t19-/m0/s1
InChIKeyXZZAZIUGAKTBLF-IBGZPJMESA-N
MW484.27 g/mol
LogP4.26
Rot. Bonds5

About N-[4-bromo-3-(trifluoromethyl)phenyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide

N-[4-bromo-3-(trifluoromethyl)phenyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide (PubChem CID 40942610) has the molecular formula C20H17BrF3N3O3 and a molecular weight of 484.27 g/mol. Its IUPAC name is N-[4-bromo-3-(trifluoromethyl)phenyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-bromo-3-(trifluoromethyl)phenyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
PubChem CID40942610
Molecular FormulaC20H17BrF3N3O3
Molecular Weight484.27 g/mol
Exact Mass483.04
IUPAC NameN-[4-bromo-3-(trifluoromethyl)phenyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
SMILESCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)C1=O
InChIInChI=1S/C20H17BrF3N3O3/c1-2-19(12-6-4-3-5-7-12)17(29)27(18(30)26-19)11-16(28)25-13-8-9-15(21)14(10-13)20(22,23)24/h3-10H,2,11H2,1H3,(H,25,28)(H,26,30)/t19-/m0/s1
InChIKeyXZZAZIUGAKTBLF-IBGZPJMESA-N
XLogP4.26
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.27
LogP ≤ 54.26
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-(3,4-dimethylphenyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7179665
2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 7242671
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 25352322
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-(3-ethylphenyl)acetamide
CID 7242663
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-propylphenyl)acetamide
CID 24565803
2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide
CID 7179355
2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 7179860
4-[[2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]amino]-N,N-dimethylbenzamide
CID 2582874
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(3-methylsulfonylphenyl)acetamide
CID 18090580
N-[4-[(2R)-butan-2-yl]phenyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7179723
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 2582848

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-3-(trifluoromethyl)phenyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The IUPAC name of N-[4-bromo-3-(trifluoromethyl)phenyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide (CID 40942610) is N-[4-bromo-3-(trifluoromethyl)phenyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[4-bromo-3-(trifluoromethyl)phenyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[4-bromo-3-(trifluoromethyl)phenyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide is CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)C1=O.
What is the InChIKey of N-[4-bromo-3-(trifluoromethyl)phenyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The InChIKey is XZZAZIUGAKTBLF-IBGZPJMESA-N. The full InChI is InChI=1S/C20H17BrF3N3O3/c1-2-19(12-6-4-3-5-7-12)17(29)27(18(30)26-19)11-16(28)25-13-8-9-15(21)14(10-13)20(22,23)24/h3-10H,2,11H2,1H3,(H,25,28)(H,26,30)/t19-/m0/s1.
What are the key properties of N-[4-bromo-3-(trifluoromethyl)phenyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide has a molecular weight of 484.27 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-3-(trifluoromethyl)phenyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide is sourced from PubChem (CID 40942610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).