2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide

C21H19ClF3N3O4 — CID 55463969

IUPAC2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
SMILESCCC1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)NCc2ccccc2OC(F)(F)F)C1=O
InChIInChI=1S/C21H19ClF3N3O4/c1-2-20(14-7-9-15(22)10-8-14)18(30)28(19(31)27-20)12-17(29)26-11-13-5-3-4-6-16(13)32-21(23,24)25/h3-10H,2,11-12H2,1H3,(H,26,29)(H,27,31)
InChIKeyKOCHKUDDJMGVEK-UHFFFAOYSA-N
MW469.85 g/mol
LogP3.71
Rot. Bonds7

About 2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide

2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide (PubChem CID 55463969) has the molecular formula C21H19ClF3N3O4 and a molecular weight of 469.85 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
PubChem CID55463969
Molecular FormulaC21H19ClF3N3O4
Molecular Weight469.85 g/mol
Exact Mass469.10
IUPAC Name2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
SMILESCCC1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)NCc2ccccc2OC(F)(F)F)C1=O
InChIInChI=1S/C21H19ClF3N3O4/c1-2-20(14-7-9-15(22)10-8-14)18(30)28(19(31)27-20)12-17(29)26-11-13-5-3-4-6-16(13)32-21(23,24)25/h3-10H,2,11-12H2,1H3,(H,26,29)(H,27,31)
InChIKeyKOCHKUDDJMGVEK-UHFFFAOYSA-N
XLogP3.71
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.85
LogP ≤ 53.71
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-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 18165300
2-[(4R)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 2703164
2-[(4R)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 2703115
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 30094410
2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(2-propoxyphenyl)acetamide
CID 24565947
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 4810291
N-(4-chlorophenyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7179775
2-[(4R)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide
CID 41208231
N-[(S)-(4-chlorophenyl)-phenylmethyl]-2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40974556
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 25352322
N-[(3-chlorophenyl)methyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7242669
2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 42969912

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide (CID 55463969) is 2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide is CCC1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)NCc2ccccc2OC(F)(F)F)C1=O.
What is the InChIKey of 2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The InChIKey is KOCHKUDDJMGVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClF3N3O4/c1-2-20(14-7-9-15(22)10-8-14)18(30)28(19(31)27-20)12-17(29)26-11-13-5-3-4-6-16(13)32-21(23,24)25/h3-10H,2,11-12H2,1H3,(H,26,29)(H,27,31).
What are the key properties of 2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide has a molecular weight of 469.85 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 55463969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).