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

C26H24FN3O4 — CID 40774817

IUPAC2-[(4S)-1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
SMILESCOc1ccc(CCN2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2CC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C26H24FN3O4/c1-34-22-13-7-18(8-14-22)15-16-29-23(17-24(31)28-20-5-3-2-4-6-20)25(32)30(26(29)33)21-11-9-19(27)10-12-21/h2-14,23H,15-17H2,1H3,(H,28,31)/t23-/m0/s1
InChIKeyIYLDRFVOEBTLJH-QHCPKHFHSA-N
MW461.49 g/mol
LogP4.24
Rot. Bonds8

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

2-[(4S)-1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide (PubChem CID 40774817) has the molecular formula C26H24FN3O4 and a molecular weight of 461.49 g/mol. Its IUPAC name is 2-[(4S)-1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(4S)-1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
PubChem CID40774817
Molecular FormulaC26H24FN3O4
Molecular Weight461.49 g/mol
Exact Mass461.18
IUPAC Name2-[(4S)-1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
SMILESCOc1ccc(CCN2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2CC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C26H24FN3O4/c1-34-22-13-7-18(8-14-22)15-16-29-23(17-24(31)28-20-5-3-2-4-6-20)25(32)30(26(29)33)21-11-9-19(27)10-12-21/h2-14,23H,15-17H2,1H3,(H,28,31)/t23-/m0/s1
InChIKeyIYLDRFVOEBTLJH-QHCPKHFHSA-N
XLogP4.24
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.49
LogP ≤ 54.24
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-[3-[(4-fluorophenyl)methyl]-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
CID 3371767
2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 17382363
2-[3-[2-(4-chlorophenyl)ethyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 3531785
2-[(4S)-1-(3-chlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 26525636
methyl 4-[[2-[(4R)-1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate
CID 41263517
N-(4-ethoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 28701853
2-[(4R)-1-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
CID 41242678
2-[(4R)-1-(4-fluorophenyl)-3-(2-methoxyethyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
CID 7324044
2-[3-[2-(4-fluorophenyl)ethyl]-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(3-methoxyphenyl)acetamide
CID 3800681
2-[(4R)-1-(4-fluorophenyl)-3-(3-methoxypropyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
CID 2217750
N-(4-methoxyphenyl)-2-[3-[2-(4-methoxyphenyl)ethyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 3140278
2-[(4S)-3-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
CID 27444104

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide?
The IUPAC name of 2-[(4S)-1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide (CID 40774817) is 2-[(4S)-1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[(4S)-1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide?
The canonical SMILES for 2-[(4S)-1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide is COc1ccc(CCN2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2CC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 2-[(4S)-1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide?
The InChIKey is IYLDRFVOEBTLJH-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H24FN3O4/c1-34-22-13-7-18(8-14-22)15-16-29-23(17-24(31)28-20-5-3-2-4-6-20)25(32)30(26(29)33)21-11-9-19(27)10-12-21/h2-14,23H,15-17H2,1H3,(H,28,31)/t23-/m0/s1.
What are the key properties of 2-[(4S)-1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide?
2-[(4S)-1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide has a molecular weight of 461.49 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide is sourced from PubChem (CID 40774817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).