2-[4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C17H19F4N3O3 — CID 42898744

IUPAC2-[4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCC(F)(F)F)C1=O
InChIInChI=1S/C17H19F4N3O3/c1-2-3-8-16(11-4-6-12(18)7-5-11)14(26)24(15(27)23-16)9-13(25)22-10-17(19,20)21/h4-7H,2-3,8-10H2,1H3,(H,22,25)(H,23,27)
InChIKeyJKPGBAQNHOSBEX-UHFFFAOYSA-N
MW389.35 g/mol
LogP2.44
Rot. Bonds7

About 2-[4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 42898744) has the molecular formula C17H19F4N3O3 and a molecular weight of 389.35 g/mol. Its IUPAC name is 2-[4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID42898744
Molecular FormulaC17H19F4N3O3
Molecular Weight389.35 g/mol
Exact Mass389.14
IUPAC Name2-[4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCC(F)(F)F)C1=O
InChIInChI=1S/C17H19F4N3O3/c1-2-3-8-16(11-4-6-12(18)7-5-11)14(26)24(15(27)23-16)9-13(25)22-10-17(19,20)21/h4-7H,2-3,8-10H2,1H3,(H,22,25)(H,23,27)
InChIKeyJKPGBAQNHOSBEX-UHFFFAOYSA-N
XLogP2.44
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.35
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(ethylcarbamoyl)acetamide
CID 7621326
methyl 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 7621528
2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 7620481
2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 7622192
(5S)-5-butyl-5-(4-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 7622563
(5R)-5-butyl-5-(4-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 7622583
ethyl N-[2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]carbamate
CID 7621289
2-[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide
CID 7620041
2-[4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-propylphenyl)acetamide
CID 24567523
2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 7621709
2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 7622152
2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 7620682

Frequently Asked Questions

What is the IUPAC name of 2-[4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 42898744) is 2-[4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is CCCCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCC(F)(F)F)C1=O.
What is the InChIKey of 2-[4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is JKPGBAQNHOSBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F4N3O3/c1-2-3-8-16(11-4-6-12(18)7-5-11)14(26)24(15(27)23-16)9-13(25)22-10-17(19,20)21/h4-7H,2-3,8-10H2,1H3,(H,22,25)(H,23,27).
What are the key properties of 2-[4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 389.35 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 42898744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).