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

C17H16FN3O4 — CID 131899563

IUPACN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCN1CC(=O)N(CC(=O)NCc2ccc(-c3ccc(F)cc3)o2)C1=O
InChIInChI=1S/C17H16FN3O4/c1-20-10-16(23)21(17(20)24)9-15(22)19-8-13-6-7-14(25-13)11-2-4-12(18)5-3-11/h2-7H,8-10H2,1H3,(H,19,22)
InChIKeyRPYWMRUJQKNHTO-UHFFFAOYSA-N
MW345.33 g/mol
LogP1.60
Rot. Bonds5

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

N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 131899563) has the molecular formula C17H16FN3O4 and a molecular weight of 345.33 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID131899563
Molecular FormulaC17H16FN3O4
Molecular Weight345.33 g/mol
Exact Mass345.11
IUPAC NameN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCN1CC(=O)N(CC(=O)NCc2ccc(-c3ccc(F)cc3)o2)C1=O
InChIInChI=1S/C17H16FN3O4/c1-20-10-16(23)21(17(20)24)9-15(22)19-8-13-6-7-14(25-13)11-2-4-12(18)5-3-11/h2-7H,8-10H2,1H3,(H,19,22)
InChIKeyRPYWMRUJQKNHTO-UHFFFAOYSA-N
XLogP1.60
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 8014680
N-(furan-2-ylmethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 112779007
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]acetamide
CID 91767930
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 47095418
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]cyclopropanecarboxamide
CID 36895021
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 24520469
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 24677331
N-(2,4-difluorophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 9209393
2-(2,5-dioxopyrrolidin-1-yl)-N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]acetamide
CID 146080754
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-morpholin-2-ylacetamide
CID 118763783
2-(2-bromo-4,5-dimethoxyphenyl)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]acetamide
CID 24672867
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-[(2R)-morpholin-2-yl]acetamide
CID 125163130

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (CID 131899563) is N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is CN1CC(=O)N(CC(=O)NCc2ccc(-c3ccc(F)cc3)o2)C1=O.
What is the InChIKey of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is RPYWMRUJQKNHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O4/c1-20-10-16(23)21(17(20)24)9-15(22)19-8-13-6-7-14(25-13)11-2-4-12(18)5-3-11/h2-7H,8-10H2,1H3,(H,19,22).
What are the key properties of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 345.33 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 131899563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).