2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C21H20F3N3O3 — CID 8673076

IUPAC2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1ccc([C@]2(c3ccccc3)NC(=O)N(CC(=O)NCC(F)(F)F)C2=O)cc1C
InChIInChI=1S/C21H20F3N3O3/c1-13-8-9-16(10-14(13)2)21(15-6-4-3-5-7-15)18(29)27(19(30)26-21)11-17(28)25-12-20(22,23)24/h3-10H,11-12H2,1-2H3,(H,25,28)(H,26,30)/t21-/m0/s1
InChIKeyXSXYZNXMVJVZFB-NRFANRHFSA-N
MW419.40 g/mol
LogP2.78
Rot. Bonds5

About 2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 8673076) has the molecular formula C21H20F3N3O3 and a molecular weight of 419.40 g/mol. Its IUPAC name is 2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID8673076
Molecular FormulaC21H20F3N3O3
Molecular Weight419.40 g/mol
Exact Mass419.15
IUPAC Name2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1ccc([C@]2(c3ccccc3)NC(=O)N(CC(=O)NCC(F)(F)F)C2=O)cc1C
InChIInChI=1S/C21H20F3N3O3/c1-13-8-9-16(10-14(13)2)21(15-6-4-3-5-7-15)18(29)27(19(30)26-21)11-17(28)25-12-20(22,23)24/h3-10H,11-12H2,1-2H3,(H,25,28)(H,26,30)/t21-/m0/s1
InChIKeyXSXYZNXMVJVZFB-NRFANRHFSA-N
XLogP2.78
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.40
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 8673028
(5R)-5-(3,4-dimethylphenyl)-3-(2-oxo-2-piperidin-1-ylethyl)-5-phenylimidazolidine-2,4-dione
CID 8673010
N-(3,5-dimethoxyphenyl)-2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 32926545
(5R)-5-(3,4-dimethylphenyl)-3-[2-(3-fluorophenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 8677282
3-[[2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]amino]-N-methylbenzamide
CID 33097653
butyl 2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 8673066
2-[[2-[4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]amino]thiophene-3-carboxamide
CID 42921307
(5R)-5-(3,4-dimethylphenyl)-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 8673055
(5S)-5-(3,4-dimethylphenyl)-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 8673056
(5S)-5-(3,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 41061049
5-(3,4-dimethylphenyl)-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 154775292
(5S)-5-(3,4-dimethylphenyl)-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-5-phenylimidazolidine-2,4-dione
CID 51565929

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 8673076) is 2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is Cc1ccc([C@]2(c3ccccc3)NC(=O)N(CC(=O)NCC(F)(F)F)C2=O)cc1C.
What is the InChIKey of 2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is XSXYZNXMVJVZFB-NRFANRHFSA-N. The full InChI is InChI=1S/C21H20F3N3O3/c1-13-8-9-16(10-14(13)2)21(15-6-4-3-5-7-15)18(29)27(19(30)26-21)11-17(28)25-12-20(22,23)24/h3-10H,11-12H2,1-2H3,(H,25,28)(H,26,30)/t21-/m0/s1.
What are the key properties of 2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 419.40 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 8673076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).