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

C16H18F3N3O3 — CID 3909305

IUPAC2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCC(C)CC1(C)NC(=O)N(CC(=O)Nc2ccc(F)c(F)c2F)C1=O
InChIInChI=1S/C16H18F3N3O3/c1-8(2)6-16(3)14(24)22(15(25)21-16)7-11(23)20-10-5-4-9(17)12(18)13(10)19/h4-5,8H,6-7H2,1-3H3,(H,20,23)(H,21,25)
InChIKeyIUIRSMXETZCFNL-UHFFFAOYSA-N
MW357.33 g/mol
LogP2.40
Rot. Bonds5

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

2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 3909305) has the molecular formula C16H18F3N3O3 and a molecular weight of 357.33 g/mol. Its IUPAC name is 2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID3909305
Molecular FormulaC16H18F3N3O3
Molecular Weight357.33 g/mol
Exact Mass357.13
IUPAC Name2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCC(C)CC1(C)NC(=O)N(CC(=O)Nc2ccc(F)c(F)c2F)C1=O
InChIInChI=1S/C16H18F3N3O3/c1-8(2)6-16(3)14(24)22(15(25)21-16)7-11(23)20-10-5-4-9(17)12(18)13(10)19/h4-5,8H,6-7H2,1-3H3,(H,20,23)(H,21,25)
InChIKeyIUIRSMXETZCFNL-UHFFFAOYSA-N
XLogP2.40
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 52.40
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

Aldumastat
CID 121448788
1-Phenylimidazolidine-2,4-dione
CID 570576
N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)-4-imidazolidinyl]acetamide
CID 2966964
N-(4-fluorophenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide
CID 4916634
5,5-Dimethyl-3-(alpha,alpha,alpha,4-tetrafluoro-3-tolyl)hydantoin
CID 129851
5-Methyl-3-phenylimidazolidine-2,4-dione
CID 5146782
(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-phenylpyrrolidine-2-carboxamide
CID 23646334
2-(2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)-N-(4-fluorophenyl)acetamide
CID 2078174
N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]cyclohexanecarboxamide
CID 2519375
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide
CID 2524258
N-(4-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 2584000
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 2708827

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide (CID 3909305) is 2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide is CC(C)CC1(C)NC(=O)N(CC(=O)Nc2ccc(F)c(F)c2F)C1=O.
What is the InChIKey of 2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is IUIRSMXETZCFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O3/c1-8(2)6-16(3)14(24)22(15(25)21-16)7-11(23)20-10-5-4-9(17)12(18)13(10)19/h4-5,8H,6-7H2,1-3H3,(H,20,23)(H,21,25).
What are the key properties of 2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide?
2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 357.33 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 3909305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).