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

C24H18F3N3O3 — CID 3662990

IUPACN-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESO=C(CC1C(=O)N(c2ccc(F)cc2)C(=O)N1Cc1ccc(F)cc1)Nc1ccc(F)cc1
InChIInChI=1S/C24H18F3N3O3/c25-16-3-1-15(2-4-16)14-29-21(13-22(31)28-19-9-5-17(26)6-10-19)23(32)30(24(29)33)20-11-7-18(27)8-12-20/h1-12,21H,13-14H2,(H,28,31)
InChIKeyDFQZKEMAFYFGSI-UHFFFAOYSA-N
MW453.42 g/mol
LogP4.47
Rot. Bonds6

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

N-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide (PubChem CID 3662990) has the molecular formula C24H18F3N3O3 and a molecular weight of 453.42 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
PubChem CID3662990
Molecular FormulaC24H18F3N3O3
Molecular Weight453.42 g/mol
Exact Mass453.13
IUPAC NameN-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESO=C(CC1C(=O)N(c2ccc(F)cc2)C(=O)N1Cc1ccc(F)cc1)Nc1ccc(F)cc1
InChIInChI=1S/C24H18F3N3O3/c25-16-3-1-15(2-4-16)14-29-21(13-22(31)28-19-9-5-17(26)6-10-19)23(32)30(24(29)33)20-11-7-18(27)8-12-20/h1-12,21H,13-14H2,(H,28,31)
InChIKeyDFQZKEMAFYFGSI-UHFFFAOYSA-N
XLogP4.47
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.42
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-fluorophenyl)-2-[1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide (CID 3662990) is N-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide is O=C(CC1C(=O)N(c2ccc(F)cc2)C(=O)N1Cc1ccc(F)cc1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
The InChIKey is DFQZKEMAFYFGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O3/c25-16-3-1-15(2-4-16)14-29-21(13-22(31)28-19-9-5-17(26)6-10-19)23(32)30(24(29)33)20-11-7-18(27)8-12-20/h1-12,21H,13-14H2,(H,28,31).
What are the key properties of N-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
N-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide has a molecular weight of 453.42 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide is sourced from PubChem (CID 3662990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).