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

C26H23ClFN3O4 — CID 26525636

IUPAC2-[(4S)-1-(3-chlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
SMILESCOc1ccc(CCN2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2CC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C26H23ClFN3O4/c1-35-22-11-5-17(6-12-22)13-14-30-23(16-24(32)29-20-9-7-19(28)8-10-20)25(33)31(26(30)34)21-4-2-3-18(27)15-21/h2-12,15,23H,13-14,16H2,1H3,(H,29,32)/t23-/m0/s1
InChIKeyJLGXJGWIDLRPEK-QHCPKHFHSA-N
MW495.94 g/mol
LogP4.90
Rot. Bonds8

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

2-[(4S)-1-(3-chlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 26525636) has the molecular formula C26H23ClFN3O4 and a molecular weight of 495.94 g/mol. Its IUPAC name is 2-[(4S)-1-(3-chlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4S)-1-(3-chlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
PubChem CID26525636
Molecular FormulaC26H23ClFN3O4
Molecular Weight495.94 g/mol
Exact Mass495.14
IUPAC Name2-[(4S)-1-(3-chlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
SMILESCOc1ccc(CCN2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2CC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C26H23ClFN3O4/c1-35-22-11-5-17(6-12-22)13-14-30-23(16-24(32)29-20-9-7-19(28)8-10-20)25(33)31(26(30)34)21-4-2-3-18(27)15-21/h2-12,15,23H,13-14,16H2,1H3,(H,29,32)/t23-/m0/s1
InChIKeyJLGXJGWIDLRPEK-QHCPKHFHSA-N
XLogP4.90
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.94
LogP ≤ 54.90
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-[1-(3-chlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 4189625
2-[(4S)-1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
CID 40774817
2-[3-[2-(4-chlorophenyl)ethyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 3531785
N-(4-chlorophenyl)-2-[1-(3-chlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 4517482
2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 17382363
2-[(4R)-3-[(4-fluorophenyl)methyl]-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 41284802
N-(4-fluorophenyl)-2-[1-(3-methoxyphenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 4775848
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-(3-methylbutyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 46276930
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-[3-[(3,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 4602426

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-1-(3-chlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[(4S)-1-(3-chlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide (CID 26525636) is 2-[(4S)-1-(3-chlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(4S)-1-(3-chlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[(4S)-1-(3-chlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide is COc1ccc(CCN2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2CC(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[(4S)-1-(3-chlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is JLGXJGWIDLRPEK-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H23ClFN3O4/c1-35-22-11-5-17(6-12-22)13-14-30-23(16-24(32)29-20-9-7-19(28)8-10-20)25(33)31(26(30)34)21-4-2-3-18(27)15-21/h2-12,15,23H,13-14,16H2,1H3,(H,29,32)/t23-/m0/s1.
What are the key properties of 2-[(4S)-1-(3-chlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide?
2-[(4S)-1-(3-chlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 495.94 g/mol, XLogP of 4.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-1-(3-chlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 26525636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).