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

C23H26FN3O4 — CID 46276930

IUPACN-(4-fluorophenyl)-2-[1-(3-methoxyphenyl)-3-(3-methylbutyl)-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESCOc1cccc(N2C(=O)C(CC(=O)Nc3ccc(F)cc3)N(CCC(C)C)C2=O)c1
InChIInChI=1S/C23H26FN3O4/c1-15(2)11-12-26-20(14-21(28)25-17-9-7-16(24)8-10-17)22(29)27(23(26)30)18-5-4-6-19(13-18)31-3/h4-10,13,15,20H,11-12,14H2,1-3H3,(H,25,28)
InChIKeyFEMLIKCEZMMDSH-UHFFFAOYSA-N
MW427.48 g/mol
LogP4.05
Rot. Bonds8

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

N-(4-fluorophenyl)-2-[1-(3-methoxyphenyl)-3-(3-methylbutyl)-2,5-dioxoimidazolidin-4-yl]acetamide (PubChem CID 46276930) has the molecular formula C23H26FN3O4 and a molecular weight of 427.48 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[1-(3-methoxyphenyl)-3-(3-methylbutyl)-2,5-dioxoimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[1-(3-methoxyphenyl)-3-(3-methylbutyl)-2,5-dioxoimidazolidin-4-yl]acetamide
PubChem CID46276930
Molecular FormulaC23H26FN3O4
Molecular Weight427.48 g/mol
Exact Mass427.19
IUPAC NameN-(4-fluorophenyl)-2-[1-(3-methoxyphenyl)-3-(3-methylbutyl)-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESCOc1cccc(N2C(=O)C(CC(=O)Nc3ccc(F)cc3)N(CCC(C)C)C2=O)c1
InChIInChI=1S/C23H26FN3O4/c1-15(2)11-12-26-20(14-21(28)25-17-9-7-16(24)8-10-17)22(29)27(23(26)30)18-5-4-6-19(13-18)31-3/h4-10,13,15,20H,11-12,14H2,1-3H3,(H,25,28)
InChIKeyFEMLIKCEZMMDSH-UHFFFAOYSA-N
XLogP4.05
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethylphenyl)-2-[(4S)-1-(3-methoxyphenyl)-3-(3-methylbutyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 92742866
2-[1-(3-methoxyphenyl)-3-(3-methylbutyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
CID 17118472
ethyl 4-[[2-[(4R)-1-(3-methoxyphenyl)-3-(3-methylbutyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate
CID 28698486
2-[3-[(3,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 4602426
N-(4-ethylphenyl)-2-[(4R)-3-[(4-fluorophenyl)methyl]-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 40774460
N-(4-fluorophenyl)-2-[1-(3-methoxyphenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 4775848
N-(4-fluorophenyl)-2-[(4R)-3-[(3-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide
CID 41002004
N-(4-methoxyphenyl)-2-[(4R)-3-(3-methylbutyl)-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 7366712
2-[(4S)-1-(3-chlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 26525636
N-(4-ethylphenyl)-2-[(4S)-3-(2-methoxyethyl)-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 7268892
2-[(4R)-3-[(4-fluorophenyl)methyl]-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 41284802
N-(4-ethoxyphenyl)-2-[(4R)-1-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 92690485

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[1-(3-methoxyphenyl)-3-(3-methylbutyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[1-(3-methoxyphenyl)-3-(3-methylbutyl)-2,5-dioxoimidazolidin-4-yl]acetamide (CID 46276930) is N-(4-fluorophenyl)-2-[1-(3-methoxyphenyl)-3-(3-methylbutyl)-2,5-dioxoimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[1-(3-methoxyphenyl)-3-(3-methylbutyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[1-(3-methoxyphenyl)-3-(3-methylbutyl)-2,5-dioxoimidazolidin-4-yl]acetamide is COc1cccc(N2C(=O)C(CC(=O)Nc3ccc(F)cc3)N(CCC(C)C)C2=O)c1.
What is the InChIKey of N-(4-fluorophenyl)-2-[1-(3-methoxyphenyl)-3-(3-methylbutyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
The InChIKey is FEMLIKCEZMMDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O4/c1-15(2)11-12-26-20(14-21(28)25-17-9-7-16(24)8-10-17)22(29)27(23(26)30)18-5-4-6-19(13-18)31-3/h4-10,13,15,20H,11-12,14H2,1-3H3,(H,25,28).
What are the key properties of N-(4-fluorophenyl)-2-[1-(3-methoxyphenyl)-3-(3-methylbutyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
N-(4-fluorophenyl)-2-[1-(3-methoxyphenyl)-3-(3-methylbutyl)-2,5-dioxoimidazolidin-4-yl]acetamide has a molecular weight of 427.48 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[1-(3-methoxyphenyl)-3-(3-methylbutyl)-2,5-dioxoimidazolidin-4-yl]acetamide is sourced from PubChem (CID 46276930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).