N-(3,4-dimethylphenyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide

C21H20F3N3O3 — CID 46484791

IUPACN-(3,4-dimethylphenyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)NC(C)(c3cccc(C(F)(F)F)c3)C2=O)cc1C
InChIInChI=1S/C21H20F3N3O3/c1-12-7-8-16(9-13(12)2)25-17(28)11-27-18(29)20(3,26-19(27)30)14-5-4-6-15(10-14)21(22,23)24/h4-10H,11H2,1-3H3,(H,25,28)(H,26,30)
InChIKeyAEZUNXKCYVGCHD-UHFFFAOYSA-N
MW419.40 g/mol
LogP3.73
Rot. Bonds4

About N-(3,4-dimethylphenyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide

N-(3,4-dimethylphenyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide (PubChem CID 46484791) has the molecular formula C21H20F3N3O3 and a molecular weight of 419.40 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide
PubChem CID46484791
Molecular FormulaC21H20F3N3O3
Molecular Weight419.40 g/mol
Exact Mass419.15
IUPAC NameN-(3,4-dimethylphenyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)NC(C)(c3cccc(C(F)(F)F)c3)C2=O)cc1C
InChIInChI=1S/C21H20F3N3O3/c1-12-7-8-16(9-13(12)2)25-17(28)11-27-18(29)20(3,26-19(27)30)14-5-4-6-15(10-14)21(22,23)24/h4-10H,11H2,1-3H3,(H,25,28)(H,26,30)
InChIKeyAEZUNXKCYVGCHD-UHFFFAOYSA-N
XLogP3.73
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.40
LogP ≤ 53.73
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-ethylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide
CID 51951377
N-(2,3-dichlorophenyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide
CID 46484652
N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide
CID 46484653
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide
CID 46484708
2-[(4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 7962305
N-(3-chloro-4-methylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2710976
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 46671942
N-(2-chloro-4-nitrophenyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide
CID 46484725
3-(2-hydroxy-2-methylpropyl)-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 110932550
N-(3-fluoro-4-methylphenyl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51250072
N-(3,4-dimethylphenyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7179665
2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 4214457

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide (CID 46484791) is N-(3,4-dimethylphenyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide is Cc1ccc(NC(=O)CN2C(=O)NC(C)(c3cccc(C(F)(F)F)c3)C2=O)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide?
The InChIKey is AEZUNXKCYVGCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O3/c1-12-7-8-16(9-13(12)2)25-17(28)11-27-18(29)20(3,26-19(27)30)14-5-4-6-15(10-14)21(22,23)24/h4-10H,11H2,1-3H3,(H,25,28)(H,26,30).
What are the key properties of N-(3,4-dimethylphenyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide?
N-(3,4-dimethylphenyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide has a molecular weight of 419.40 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide is sourced from PubChem (CID 46484791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).