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

C25H22FN3O4 — CID 3371767

IUPAC2-[3-[(4-fluorophenyl)methyl]-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
SMILESCOc1ccc(N2C(=O)C(CC(=O)Nc3ccccc3)N(Cc3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C25H22FN3O4/c1-33-21-13-11-20(12-14-21)29-24(31)22(15-23(30)27-19-5-3-2-4-6-19)28(25(29)32)16-17-7-9-18(26)10-8-17/h2-14,22H,15-16H2,1H3,(H,27,30)
InChIKeyOCRHPNICBFZMHV-UHFFFAOYSA-N
MW447.47 g/mol
LogP4.20
Rot. Bonds7

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

2-[3-[(4-fluorophenyl)methyl]-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide (PubChem CID 3371767) has the molecular formula C25H22FN3O4 and a molecular weight of 447.47 g/mol. Its IUPAC name is 2-[3-[(4-fluorophenyl)methyl]-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-[(4-fluorophenyl)methyl]-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
PubChem CID3371767
Molecular FormulaC25H22FN3O4
Molecular Weight447.47 g/mol
Exact Mass447.16
IUPAC Name2-[3-[(4-fluorophenyl)methyl]-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
SMILESCOc1ccc(N2C(=O)C(CC(=O)Nc3ccccc3)N(Cc3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C25H22FN3O4/c1-33-21-13-11-20(12-14-21)29-24(31)22(15-23(30)27-19-5-3-2-4-6-19)28(25(29)32)16-17-7-9-18(26)10-8-17/h2-14,22H,15-16H2,1H3,(H,27,30)
InChIKeyOCRHPNICBFZMHV-UHFFFAOYSA-N
XLogP4.20
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.47
LogP ≤ 54.20
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

2-[(4R)-1-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
CID 41242678
2-[(4S)-3-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
CID 27444104
2-[(4S)-1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
CID 40774817
2-[(4R)-3-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
CID 41242683
N-(4-fluorophenyl)-2-[(4S)-3-[(4-methoxyphenyl)methyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 1347932
2-[3-[(4-fluorophenyl)methyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 3750214
N-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 3662990
2-[(4R)-3-[(4-fluorophenyl)methyl]-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 41284802
N-(4-ethylphenyl)-2-[(4S)-1-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 40774472
N-(4-fluorophenyl)-2-[(4R)-3-[(3-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide
CID 41002004
N-(3-fluorophenyl)-2-[(4R)-1-(3-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 41284859
N-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 4775847

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-fluorophenyl)methyl]-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide?
The IUPAC name of 2-[3-[(4-fluorophenyl)methyl]-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide (CID 3371767) is 2-[3-[(4-fluorophenyl)methyl]-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[3-[(4-fluorophenyl)methyl]-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide?
The canonical SMILES for 2-[3-[(4-fluorophenyl)methyl]-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide is COc1ccc(N2C(=O)C(CC(=O)Nc3ccccc3)N(Cc3ccc(F)cc3)C2=O)cc1.
What is the InChIKey of 2-[3-[(4-fluorophenyl)methyl]-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide?
The InChIKey is OCRHPNICBFZMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O4/c1-33-21-13-11-20(12-14-21)29-24(31)22(15-23(30)27-19-5-3-2-4-6-19)28(25(29)32)16-17-7-9-18(26)10-8-17/h2-14,22H,15-16H2,1H3,(H,27,30).
What are the key properties of 2-[3-[(4-fluorophenyl)methyl]-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide?
2-[3-[(4-fluorophenyl)methyl]-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide has a molecular weight of 447.47 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-fluorophenyl)methyl]-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide is sourced from PubChem (CID 3371767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).