2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide

C18H13ClF3N3O3 — CID 4664278

IUPAC2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCC1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2ccc(F)c(F)c2F)C1=O
InChIInChI=1S/C18H13ClF3N3O3/c1-18(9-2-4-10(19)5-3-9)16(27)25(17(28)24-18)8-13(26)23-12-7-6-11(20)14(21)15(12)22/h2-7H,8H2,1H3,(H,23,26)(H,24,28)
InChIKeyLTGNUBCYQNZAHX-UHFFFAOYSA-N
MW411.77 g/mol
LogP3.16
Rot. Bonds4

About 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide

2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 4664278) has the molecular formula C18H13ClF3N3O3 and a molecular weight of 411.77 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID4664278
Molecular FormulaC18H13ClF3N3O3
Molecular Weight411.77 g/mol
Exact Mass411.06
IUPAC Name2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCC1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2ccc(F)c(F)c2F)C1=O
InChIInChI=1S/C18H13ClF3N3O3/c1-18(9-2-4-10(19)5-3-9)16(27)25(17(28)24-18)8-13(26)23-12-7-6-11(20)14(21)15(12)22/h2-7H,8H2,1H3,(H,23,26)(H,24,28)
InChIKeyLTGNUBCYQNZAHX-UHFFFAOYSA-N
XLogP3.16
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.77
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,5-difluorophenyl)acetamide
CID 7240396
N-(2,5-dichlorophenyl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 42918890
N-(4-chloro-2-fluorophenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2580817
2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 2463493
N-(2,5-difluorophenyl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51250071
N-(2-acetylphenyl)-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4040539
N-(4-chlorophenyl)-2-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide
CID 55442567
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 2705913
N-(5-chloro-2-cyanophenyl)-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4537106
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 41167122
N-carbamoyl-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2691171
N-[3,5-bis(trifluoromethyl)phenyl]-2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2491833

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide (CID 4664278) is 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide is CC1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2ccc(F)c(F)c2F)C1=O.
What is the InChIKey of 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is LTGNUBCYQNZAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3N3O3/c1-18(9-2-4-10(19)5-3-9)16(27)25(17(28)24-18)8-13(26)23-12-7-6-11(20)14(21)15(12)22/h2-7H,8H2,1H3,(H,23,26)(H,24,28).
What are the key properties of 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide?
2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 411.77 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 4664278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).