2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide

C24H17F3N4O5 — CID 16569736

IUPAC2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F
InChIInChI=1S/C24H17F3N4O5/c25-24(26,27)18-13-17(31(35)36)11-12-19(18)28-20(32)14-30-21(33)23(29-22(30)34,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13H,14H2,(H,28,32)(H,29,34)
InChIKeyUVJNUJLVJFZZIY-UHFFFAOYSA-N
MW498.42 g/mol
LogP4.05
Rot. Bonds6

About 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide

2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide (PubChem CID 16569736) has the molecular formula C24H17F3N4O5 and a molecular weight of 498.42 g/mol. Its IUPAC name is 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide
PubChem CID16569736
Molecular FormulaC24H17F3N4O5
Molecular Weight498.42 g/mol
Exact Mass498.12
IUPAC Name2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F
InChIInChI=1S/C24H17F3N4O5/c25-24(26,27)18-13-17(31(35)36)11-12-19(18)28-20(32)14-30-21(33)23(29-22(30)34,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13H,14H2,(H,28,32)(H,29,34)
InChIKeyUVJNUJLVJFZZIY-UHFFFAOYSA-N
XLogP4.05
TPSA121.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.42
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-4-nitrophenyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide
CID 46484725
N-[4-nitro-2-(trifluoromethyl)phenyl]-2-phenylsulfanylacetamide
CID 7821087
N-(2-bromophenyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
CID 4045289
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 25352322
[1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 46786764
N-(2-chloro-5-nitrophenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 2703755
2-[(4R)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2711003
2-cyano-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide
CID 83342973
2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(4-nitrophenyl)methyl]acetamide
CID 55530375
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(4-methylphenyl)acetamide
CID 84601269
N-(4-cyanophenyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
CID 5036756
2,2,2-trifluoro-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide
CID 18543314

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide (CID 16569736) is 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide is O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F.
What is the InChIKey of 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is UVJNUJLVJFZZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N4O5/c25-24(26,27)18-13-17(31(35)36)11-12-19(18)28-20(32)14-30-21(33)23(29-22(30)34,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13H,14H2,(H,28,32)(H,29,34).
What are the key properties of 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide?
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 498.42 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 16569736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).