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

C27H26FN3O4 — CID 40774460

IUPACN-(4-ethylphenyl)-2-[(4R)-3-[(4-fluorophenyl)methyl]-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESCCc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(OC)c3)C(=O)N2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C27H26FN3O4/c1-3-18-9-13-21(14-10-18)29-25(32)16-24-26(33)31(22-5-4-6-23(15-22)35-2)27(34)30(24)17-19-7-11-20(28)12-8-19/h4-15,24H,3,16-17H2,1-2H3,(H,29,32)/t24-/m1/s1
InChIKeyJKFJSLHFNDEZGF-XMMPIXPASA-N
MW475.52 g/mol
LogP4.76
Rot. Bonds8

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

N-(4-ethylphenyl)-2-[(4R)-3-[(4-fluorophenyl)methyl]-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide (PubChem CID 40774460) has the molecular formula C27H26FN3O4 and a molecular weight of 475.52 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[(4R)-3-[(4-fluorophenyl)methyl]-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[(4R)-3-[(4-fluorophenyl)methyl]-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
PubChem CID40774460
Molecular FormulaC27H26FN3O4
Molecular Weight475.52 g/mol
Exact Mass475.19
IUPAC NameN-(4-ethylphenyl)-2-[(4R)-3-[(4-fluorophenyl)methyl]-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESCCc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(OC)c3)C(=O)N2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C27H26FN3O4/c1-3-18-9-13-21(14-10-18)29-25(32)16-24-26(33)31(22-5-4-6-23(15-22)35-2)27(34)30(24)17-19-7-11-20(28)12-8-19/h4-15,24H,3,16-17H2,1-2H3,(H,29,32)/t24-/m1/s1
InChIKeyJKFJSLHFNDEZGF-XMMPIXPASA-N
XLogP4.76
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.52
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[(4R)-3-[(4-fluorophenyl)methyl]-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-[(4R)-3-[(4-fluorophenyl)methyl]-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide (CID 40774460) is N-(4-ethylphenyl)-2-[(4R)-3-[(4-fluorophenyl)methyl]-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[(4R)-3-[(4-fluorophenyl)methyl]-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[(4R)-3-[(4-fluorophenyl)methyl]-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide is CCc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(OC)c3)C(=O)N2Cc2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[(4R)-3-[(4-fluorophenyl)methyl]-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
The InChIKey is JKFJSLHFNDEZGF-XMMPIXPASA-N. The full InChI is InChI=1S/C27H26FN3O4/c1-3-18-9-13-21(14-10-18)29-25(32)16-24-26(33)31(22-5-4-6-23(15-22)35-2)27(34)30(24)17-19-7-11-20(28)12-8-19/h4-15,24H,3,16-17H2,1-2H3,(H,29,32)/t24-/m1/s1.
What are the key properties of N-(4-ethylphenyl)-2-[(4R)-3-[(4-fluorophenyl)methyl]-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
N-(4-ethylphenyl)-2-[(4R)-3-[(4-fluorophenyl)methyl]-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide has a molecular weight of 475.52 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[(4R)-3-[(4-fluorophenyl)methyl]-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide is sourced from PubChem (CID 40774460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).