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

C28H28FN3O5 — CID 92690482

IUPAC2-[(4S)-1-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
SMILESCCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)N2Cc2cccc(OC)c2)cc1
InChIInChI=1S/C28H28FN3O5/c1-3-15-37-23-13-9-21(10-14-23)30-26(33)17-25-27(34)32(22-11-7-20(29)8-12-22)28(35)31(25)18-19-5-4-6-24(16-19)36-2/h4-14,16,25H,3,15,17-18H2,1-2H3,(H,30,33)/t25-/m0/s1
InChIKeyUPJGZOBDRXNGAO-VWLOTQADSA-N
MW505.55 g/mol
LogP4.99
Rot. Bonds10

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

2-[(4S)-1-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide (PubChem CID 92690482) has the molecular formula C28H28FN3O5 and a molecular weight of 505.55 g/mol. Its IUPAC name is 2-[(4S)-1-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(4S)-1-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
PubChem CID92690482
Molecular FormulaC28H28FN3O5
Molecular Weight505.55 g/mol
Exact Mass505.20
IUPAC Name2-[(4S)-1-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
SMILESCCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)N2Cc2cccc(OC)c2)cc1
InChIInChI=1S/C28H28FN3O5/c1-3-15-37-23-13-9-21(10-14-23)30-26(33)17-25-27(34)32(22-11-7-20(29)8-12-22)28(35)31(25)18-19-5-4-6-24(16-19)36-2/h4-14,16,25H,3,15,17-18H2,1-2H3,(H,30,33)/t25-/m0/s1
InChIKeyUPJGZOBDRXNGAO-VWLOTQADSA-N
XLogP4.99
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.55
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethoxyphenyl)-2-[(4R)-1-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 92690485
N-(4-fluorophenyl)-2-[(4R)-3-[(3-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide
CID 41002004
N-(4-methoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 41001956
N-(4-ethoxyphenyl)-2-[3-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 5296381
N-(3-fluorophenyl)-2-[1-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 46276958
N-(4-methoxyphenyl)-2-[(4S)-3-[(3-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide
CID 41001950
N-(4-chlorophenyl)-2-[(4S)-1-(4-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 41001990
ethyl 3-[[2-[(4R)-1-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate
CID 40774526
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-ethoxyphenyl)-2-[3-[(3-fluorophenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide
CID 4568240
N-(4-fluorophenyl)-2-[1-(3-methoxyphenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 4775848

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-1-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide?
The IUPAC name of 2-[(4S)-1-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide (CID 92690482) is 2-[(4S)-1-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide.
What is the SMILES notation for 2-[(4S)-1-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide?
The canonical SMILES for 2-[(4S)-1-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide is CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)N2Cc2cccc(OC)c2)cc1.
What is the InChIKey of 2-[(4S)-1-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide?
The InChIKey is UPJGZOBDRXNGAO-VWLOTQADSA-N. The full InChI is InChI=1S/C28H28FN3O5/c1-3-15-37-23-13-9-21(10-14-23)30-26(33)17-25-27(34)32(22-11-7-20(29)8-12-22)28(35)31(25)18-19-5-4-6-24(16-19)36-2/h4-14,16,25H,3,15,17-18H2,1-2H3,(H,30,33)/t25-/m0/s1.
What are the key properties of 2-[(4S)-1-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide?
2-[(4S)-1-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide has a molecular weight of 505.55 g/mol, XLogP of 4.99, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-1-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide is sourced from PubChem (CID 92690482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).