N-(3,4-dimethylphenyl)-2-[3-[(Z)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]acetamide

C27H24FN3O4 — CID 126384145

IUPACN-(3,4-dimethylphenyl)-2-[3-[(Z)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]acetamide
SMILESCc1ccc(NC(=O)COc2cccc(/C=C3\NC(=O)N(Cc4ccccc4F)C3=O)c2)cc1C
InChIInChI=1S/C27H24FN3O4/c1-17-10-11-21(12-18(17)2)29-25(32)16-35-22-8-5-6-19(13-22)14-24-26(33)31(27(34)30-24)15-20-7-3-4-9-23(20)28/h3-14H,15-16H2,1-2H3,(H,29,32)(H,30,34)/b24-14-
InChIKeyXVGFPQFCUIQTFL-OYKKKHCWSA-N
MW473.50 g/mol
LogP4.55
Rot. Bonds7

About N-(3,4-dimethylphenyl)-2-[3-[(Z)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]acetamide

N-(3,4-dimethylphenyl)-2-[3-[(Z)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]acetamide (PubChem CID 126384145) has the molecular formula C27H24FN3O4 and a molecular weight of 473.50 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[3-[(Z)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[3-[(Z)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]acetamide
PubChem CID126384145
Molecular FormulaC27H24FN3O4
Molecular Weight473.50 g/mol
Exact Mass473.18
IUPAC NameN-(3,4-dimethylphenyl)-2-[3-[(Z)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]acetamide
SMILESCc1ccc(NC(=O)COc2cccc(/C=C3\NC(=O)N(Cc4ccccc4F)C3=O)c2)cc1C
InChIInChI=1S/C27H24FN3O4/c1-17-10-11-21(12-18(17)2)29-25(32)16-35-22-8-5-6-19(13-22)14-24-26(33)31(27(34)30-24)15-20-7-3-4-9-23(20)28/h3-14H,15-16H2,1-2H3,(H,29,32)(H,30,34)/b24-14-
InChIKeyXVGFPQFCUIQTFL-OYKKKHCWSA-N
XLogP4.55
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.50
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-bromo-4-[(E)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]-6-methoxyphenoxy]-N-(4-fluorophenyl)acetamide
CID 126071018
2-[3-[(Z)-[3-[(2-chloro-6-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide
CID 126385204
(5Z)-3-[(2-fluorophenyl)methyl]-5-[(3-methylphenyl)methylidene]imidazolidine-2,4-dione
CID 900295
N-(3,4-dimethylphenyl)-2-[3-[(E)-[1-(2-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetamide
CID 126382790
2-[2-[(E)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]-6-methoxyphenoxy]-N-phenylacetamide
CID 126073693
N-(2-fluorophenyl)-2-[(4E)-4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 126205703
2-[(5Z)-5-[[3-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylacetamide
CID 126382510
N-(3,4-dimethylphenyl)-2-[3-[(E)-[1-(3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetamide
CID 126374371
N-(3,4-dimethylphenyl)-2-[3-[(E)-[1-(3-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]acetamide
CID 126387509
2-[4-[(E)-[3-[(2-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 124664192
N-(3,4-dimethylphenyl)-2-[3-[(E)-[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]acetamide
CID 126391876
2-[3-[(E)-[1-(3-chlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide
CID 126380639

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[3-[(Z)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[3-[(Z)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]acetamide (CID 126384145) is N-(3,4-dimethylphenyl)-2-[3-[(Z)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[3-[(Z)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[3-[(Z)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]acetamide is Cc1ccc(NC(=O)COc2cccc(/C=C3\NC(=O)N(Cc4ccccc4F)C3=O)c2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[3-[(Z)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]acetamide?
The InChIKey is XVGFPQFCUIQTFL-OYKKKHCWSA-N. The full InChI is InChI=1S/C27H24FN3O4/c1-17-10-11-21(12-18(17)2)29-25(32)16-35-22-8-5-6-19(13-22)14-24-26(33)31(27(34)30-24)15-20-7-3-4-9-23(20)28/h3-14H,15-16H2,1-2H3,(H,29,32)(H,30,34)/b24-14-.
What are the key properties of N-(3,4-dimethylphenyl)-2-[3-[(Z)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]acetamide?
N-(3,4-dimethylphenyl)-2-[3-[(Z)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]acetamide has a molecular weight of 473.50 g/mol, XLogP of 4.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[3-[(Z)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]acetamide is sourced from PubChem (CID 126384145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).