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

C23H26FN3O3 — CID 24520327

IUPAC2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methyl-1-phenylbutyl)acetamide
SMILESCC(C)CC(NC(=O)CN1C(=O)NC(C)(c2ccc(F)cc2)C1=O)c1ccccc1
InChIInChI=1S/C23H26FN3O3/c1-15(2)13-19(16-7-5-4-6-8-16)25-20(28)14-27-21(29)23(3,26-22(27)30)17-9-11-18(24)12-10-17/h4-12,15,19H,13-14H2,1-3H3,(H,25,28)(H,26,30)
InChIKeyDPYUVHAYSWARMH-UHFFFAOYSA-N
MW411.48 g/mol
LogP3.50
Rot. Bonds7

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

2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methyl-1-phenylbutyl)acetamide (PubChem CID 24520327) has the molecular formula C23H26FN3O3 and a molecular weight of 411.48 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methyl-1-phenylbutyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methyl-1-phenylbutyl)acetamide
PubChem CID24520327
Molecular FormulaC23H26FN3O3
Molecular Weight411.48 g/mol
Exact Mass411.20
IUPAC Name2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methyl-1-phenylbutyl)acetamide
SMILESCC(C)CC(NC(=O)CN1C(=O)NC(C)(c2ccc(F)cc2)C1=O)c1ccccc1
InChIInChI=1S/C23H26FN3O3/c1-15(2)13-19(16-7-5-4-6-8-16)25-20(28)14-27-21(29)23(3,26-22(27)30)17-9-11-18(24)12-10-17/h4-12,15,19H,13-14H2,1-3H3,(H,25,28)(H,26,30)
InChIKeyDPYUVHAYSWARMH-UHFFFAOYSA-N
XLogP3.50
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.50
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-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-methyl-1-phenylbutyl)acetamide
CID 43028298
2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 8521703
2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 8521706
propan-2-yl 3-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-3-phenylpropanoate
CID 46516380
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(3-methyl-1-phenylbutyl)acetamide
CID 43027676
2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 7595825
2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 8521761
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 8522010
N-benzyl-2-[(4R)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40873139
2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 7801285
2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1-phenylbutyl)acetamide
CID 56519869
N-[1-(4-chlorophenyl)-2-methylpropyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 46525783

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methyl-1-phenylbutyl)acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methyl-1-phenylbutyl)acetamide (CID 24520327) is 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methyl-1-phenylbutyl)acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methyl-1-phenylbutyl)acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methyl-1-phenylbutyl)acetamide is CC(C)CC(NC(=O)CN1C(=O)NC(C)(c2ccc(F)cc2)C1=O)c1ccccc1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methyl-1-phenylbutyl)acetamide?
The InChIKey is DPYUVHAYSWARMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O3/c1-15(2)13-19(16-7-5-4-6-8-16)25-20(28)14-27-21(29)23(3,26-22(27)30)17-9-11-18(24)12-10-17/h4-12,15,19H,13-14H2,1-3H3,(H,25,28)(H,26,30).
What are the key properties of 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methyl-1-phenylbutyl)acetamide?
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methyl-1-phenylbutyl)acetamide has a molecular weight of 411.48 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methyl-1-phenylbutyl)acetamide is sourced from PubChem (CID 24520327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).