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

C26H22F3N3O4 — CID 4918753

IUPACN-(3,4-difluorophenyl)-2-[1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESCOc1ccc(CCN2C(=O)N(c3ccc(F)cc3)C(=O)C2CC(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C26H22F3N3O4/c1-36-20-9-2-16(3-10-20)12-13-31-23(15-24(33)30-18-6-11-21(28)22(29)14-18)25(34)32(26(31)35)19-7-4-17(27)5-8-19/h2-11,14,23H,12-13,15H2,1H3,(H,30,33)
InChIKeyLUXACMJSGFMCRS-UHFFFAOYSA-N
MW497.47 g/mol
LogP4.52
Rot. Bonds8

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

N-(3,4-difluorophenyl)-2-[1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide (PubChem CID 4918753) has the molecular formula C26H22F3N3O4 and a molecular weight of 497.47 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
PubChem CID4918753
Molecular FormulaC26H22F3N3O4
Molecular Weight497.47 g/mol
Exact Mass497.16
IUPAC NameN-(3,4-difluorophenyl)-2-[1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESCOc1ccc(CCN2C(=O)N(c3ccc(F)cc3)C(=O)C2CC(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C26H22F3N3O4/c1-36-20-9-2-16(3-10-20)12-13-31-23(15-24(33)30-18-6-11-21(28)22(29)14-18)25(34)32(26(31)35)19-7-4-17(27)5-8-19/h2-11,14,23H,12-13,15H2,1H3,(H,30,33)
InChIKeyLUXACMJSGFMCRS-UHFFFAOYSA-N
XLogP4.52
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.47
LogP ≤ 54.52
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-(3,4-difluorophenyl)-2-[1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide (CID 4918753) is N-(3,4-difluorophenyl)-2-[1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide is COc1ccc(CCN2C(=O)N(c3ccc(F)cc3)C(=O)C2CC(=O)Nc2ccc(F)c(F)c2)cc1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
The InChIKey is LUXACMJSGFMCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N3O4/c1-36-20-9-2-16(3-10-20)12-13-31-23(15-24(33)30-18-6-11-21(28)22(29)14-18)25(34)32(26(31)35)19-7-4-17(27)5-8-19/h2-11,14,23H,12-13,15H2,1H3,(H,30,33).
What are the key properties of N-(3,4-difluorophenyl)-2-[1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
N-(3,4-difluorophenyl)-2-[1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide has a molecular weight of 497.47 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide is sourced from PubChem (CID 4918753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).