2-[4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

C18H16F3N3O4 — CID 60617450

IUPAC2-[4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc(C2(C)NC(=O)N(CC(=O)Nc3ccccc3C(F)(F)F)C2=O)o1
InChIInChI=1S/C18H16F3N3O4/c1-10-7-8-13(28-10)17(2)15(26)24(16(27)23-17)9-14(25)22-12-6-4-3-5-11(12)18(19,20)21/h3-8H,9H2,1-2H3,(H,22,25)(H,23,27)
InChIKeySRNAYVLIPSYLMK-UHFFFAOYSA-N
MW395.34 g/mol
LogP3.01
Rot. Bonds4

About 2-[4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 60617450) has the molecular formula C18H16F3N3O4 and a molecular weight of 395.34 g/mol. Its IUPAC name is 2-[4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID60617450
Molecular FormulaC18H16F3N3O4
Molecular Weight395.34 g/mol
Exact Mass395.11
IUPAC Name2-[4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc(C2(C)NC(=O)N(CC(=O)Nc3ccccc3C(F)(F)F)C2=O)o1
InChIInChI=1S/C18H16F3N3O4/c1-10-7-8-13(28-10)17(2)15(26)24(16(27)23-17)9-14(25)22-12-6-4-3-5-11(12)18(19,20)21/h3-8H,9H2,1-2H3,(H,22,25)(H,23,27)
InChIKeySRNAYVLIPSYLMK-UHFFFAOYSA-N
XLogP3.01
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.34
LogP ≤ 53.01
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

N-(2-chlorophenyl)-2-[(4S)-4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 52512676
N-(2,3-dimethylphenyl)-2-[(4S)-4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 52510822
N-(2,3-dimethylphenyl)-2-[4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51132252
N-(5-chloro-2-fluorophenyl)-2-[4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 47092829
2-[(4R)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2711003
N-(ethylcarbamoyl)-2-[4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51106021
N-(2-tert-butylphenyl)-2-[4-methyl-2,5-dioxo-4-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide
CID 167763599
N-(3,4-difluorophenyl)-2-[4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 47092818
2-[(4S)-4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]-N-(propylcarbamoyl)acetamide
CID 94814614
N-[(4-chlorophenyl)methyl]-2-[4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51132253
(5S)-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione
CID 94814004
2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7859107

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 60617450) is 2-[4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is Cc1ccc(C2(C)NC(=O)N(CC(=O)Nc3ccccc3C(F)(F)F)C2=O)o1.
What is the InChIKey of 2-[4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is SRNAYVLIPSYLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O4/c1-10-7-8-13(28-10)17(2)15(26)24(16(27)23-17)9-14(25)22-12-6-4-3-5-11(12)18(19,20)21/h3-8H,9H2,1-2H3,(H,22,25)(H,23,27).
What are the key properties of 2-[4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 395.34 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 60617450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).