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

C20H18FN3O4 — CID 3410133

IUPACN-(4-fluorophenyl)-2-[4-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCc1cc(C=C2NC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc(C)c1O
InChIInChI=1S/C20H18FN3O4/c1-11-7-13(8-12(2)18(11)26)9-16-19(27)24(20(28)23-16)10-17(25)22-15-5-3-14(21)4-6-15/h3-9,26H,10H2,1-2H3,(H,22,25)(H,23,28)
InChIKeyOWRMAPHRJYRCGC-UHFFFAOYSA-N
MW383.38 g/mol
LogP2.68
Rot. Bonds4

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

N-(4-fluorophenyl)-2-[4-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 3410133) has the molecular formula C20H18FN3O4 and a molecular weight of 383.38 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID3410133
Molecular FormulaC20H18FN3O4
Molecular Weight383.38 g/mol
Exact Mass383.13
IUPAC NameN-(4-fluorophenyl)-2-[4-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCc1cc(C=C2NC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc(C)c1O
InChIInChI=1S/C20H18FN3O4/c1-11-7-13(8-12(2)18(11)26)9-16-19(27)24(20(28)23-16)10-17(25)22-15-5-3-14(21)4-6-15/h3-9,26H,10H2,1-2H3,(H,22,25)(H,23,28)
InChIKeyOWRMAPHRJYRCGC-UHFFFAOYSA-N
XLogP2.68
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 52.68
H-Bond Donors ≤ 53
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-[(4Z)-4-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 6045074
2-[(4Z)-4-[(1,5-dimethylpyrrol-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 50855848
2-[(4Z)-4-[(5-chloro-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 16632702
N-(4-fluorophenyl)-2-[(4Z)-4-[(2-fluorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16632699
2-[(4E)-4-[(3,4-dichlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 126029584
2-[(4Z)-4-[[4-(2-amino-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 6240818
2-[(4E)-4-[[3-chloro-4-[2-(4-fluoroanilino)-2-oxoethoxy]-5-methoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 126021985
N-(4-fluorophenyl)-2-[(4Z)-4-[(2-iodophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 124553299
N-(4-methylphenyl)-2-[(4Z)-4-[(2-methylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 19256101
ethyl 4-[[2-[(4Z)-4-[(3-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzoate
CID 16632850
N-(4-ethoxyphenyl)-2-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16632796
2-[(4E)-4-[[3,5-dichloro-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 126029418

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide (CID 3410133) is N-(4-fluorophenyl)-2-[4-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide is Cc1cc(C=C2NC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc(C)c1O.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is OWRMAPHRJYRCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O4/c1-11-7-13(8-12(2)18(11)26)9-16-19(27)24(20(28)23-16)10-17(25)22-15-5-3-14(21)4-6-15/h3-9,26H,10H2,1-2H3,(H,22,25)(H,23,28).
What are the key properties of N-(4-fluorophenyl)-2-[4-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(4-fluorophenyl)-2-[4-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 383.38 g/mol, XLogP of 2.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 3410133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).