2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide

C16H15ClF3N3O4 — CID 16510606

IUPAC2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide
SMILESCCCCN1C(=O)C(=O)N(CC(=O)Nc2c(Cl)cccc2C(F)(F)F)C1=O
InChIInChI=1S/C16H15ClF3N3O4/c1-2-3-7-22-13(25)14(26)23(15(22)27)8-11(24)21-12-9(16(18,19)20)5-4-6-10(12)17/h4-6H,2-3,7-8H2,1H3,(H,21,24)
InChIKeyXLSKFSZWALGCEH-UHFFFAOYSA-N
MW405.76 g/mol
LogP2.89
Rot. Bonds6

About 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide

2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide (PubChem CID 16510606) has the molecular formula C16H15ClF3N3O4 and a molecular weight of 405.76 g/mol. Its IUPAC name is 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide
PubChem CID16510606
Molecular FormulaC16H15ClF3N3O4
Molecular Weight405.76 g/mol
Exact Mass405.07
IUPAC Name2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide
SMILESCCCCN1C(=O)C(=O)N(CC(=O)Nc2c(Cl)cccc2C(F)(F)F)C1=O
InChIInChI=1S/C16H15ClF3N3O4/c1-2-3-7-22-13(25)14(26)23(15(22)27)8-11(24)21-12-9(16(18,19)20)5-4-6-10(12)17/h4-6H,2-3,7-8H2,1H3,(H,21,24)
InChIKeyXLSKFSZWALGCEH-UHFFFAOYSA-N
XLogP2.89
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.76
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-chloro-6-(trifluoromethyl)phenyl]propanamide
CID 64591639
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 7738311
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-methylphenyl)acetamide
CID 2489541
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7170121
2-[4-[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 30996473
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78915268
4-[2-chloro-6-(trifluoromethyl)anilino]-4-oxobutanoic acid
CID 43579669
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[1-(4-fluorophenyl)ethylsulfanyl]acetamide
CID 55583835
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 18205489
N-[2-chloro-6-(trifluoromethyl)phenyl]-4-hydroxypentanamide
CID 79204589
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[(3S)-2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl]acetamide
CID 2483041
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetamide
CID 8894663

Frequently Asked Questions

What is the IUPAC name of 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide (CID 16510606) is 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide is CCCCN1C(=O)C(=O)N(CC(=O)Nc2c(Cl)cccc2C(F)(F)F)C1=O.
What is the InChIKey of 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide?
The InChIKey is XLSKFSZWALGCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3N3O4/c1-2-3-7-22-13(25)14(26)23(15(22)27)8-11(24)21-12-9(16(18,19)20)5-4-6-10(12)17/h4-6H,2-3,7-8H2,1H3,(H,21,24).
What are the key properties of 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide?
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide has a molecular weight of 405.76 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 16510606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).