2-[(4E)-2,5-dioxo-4-[(5-piperidin-1-ylfuran-2-yl)methylidene]imidazolidin-1-yl]-N-(2-fluorophenyl)acetamide

C21H21FN4O4 — CID 126221060

IUPAC2-[(4E)-2,5-dioxo-4-[(5-piperidin-1-ylfuran-2-yl)methylidene]imidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
SMILESO=C(CN1C(=O)N/C(=C/c2ccc(N3CCCCC3)o2)C1=O)Nc1ccccc1F
InChIInChI=1S/C21H21FN4O4/c22-15-6-2-3-7-16(15)23-18(27)13-26-20(28)17(24-21(26)29)12-14-8-9-19(30-14)25-10-4-1-5-11-25/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,23,27)(H,24,29)/b17-12+
InChIKeyYGCADOGOPJECJL-SFQUDFHCSA-N
MW412.42 g/mol
LogP2.94
Rot. Bonds5

About 2-[(4E)-2,5-dioxo-4-[(5-piperidin-1-ylfuran-2-yl)methylidene]imidazolidin-1-yl]-N-(2-fluorophenyl)acetamide

2-[(4E)-2,5-dioxo-4-[(5-piperidin-1-ylfuran-2-yl)methylidene]imidazolidin-1-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 126221060) has the molecular formula C21H21FN4O4 and a molecular weight of 412.42 g/mol. Its IUPAC name is 2-[(4E)-2,5-dioxo-4-[(5-piperidin-1-ylfuran-2-yl)methylidene]imidazolidin-1-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4E)-2,5-dioxo-4-[(5-piperidin-1-ylfuran-2-yl)methylidene]imidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
PubChem CID126221060
Molecular FormulaC21H21FN4O4
Molecular Weight412.42 g/mol
Exact Mass412.15
IUPAC Name2-[(4E)-2,5-dioxo-4-[(5-piperidin-1-ylfuran-2-yl)methylidene]imidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
SMILESO=C(CN1C(=O)N/C(=C/c2ccc(N3CCCCC3)o2)C1=O)Nc1ccccc1F
InChIInChI=1S/C21H21FN4O4/c22-15-6-2-3-7-16(15)23-18(27)13-26-20(28)17(24-21(26)29)12-14-8-9-19(30-14)25-10-4-1-5-11-25/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,23,27)(H,24,29)/b17-12+
InChIKeyYGCADOGOPJECJL-SFQUDFHCSA-N
XLogP2.94
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.42
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(4E)-4-[[5-(azepan-1-yl)furan-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 126107842
2-[(4E)-4-(anthracen-9-ylmethylidene)-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 126223490
methyl 3-[5-[(E)-[1-[2-(2-fluoroanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]furan-2-yl]-4-methylbenzoate
CID 126219256
2-[(4E)-4-[(4-bromothiophen-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 126218386
2-[(4Z)-2,5-dioxo-4-[(4-piperidin-1-ylphenyl)methylidene]imidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 46499448
2-[2,5-dioxo-4-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 3331969
2-[3-[(E)-[1-[2-(2-fluoroanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]indol-1-yl]acetic acid
CID 126207203
2-[(4E)-4-[[4-[(2R)-butan-2-yl]oxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 126207554
2-[(4E)-4-[(4-ethoxynaphthalen-1-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 126208081
2-[(4E)-4-[[1-(2-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 126225153
3-methyl-4-[5-[[1-[2-(2-methylanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]furan-2-yl]benzoic acid
CID 3618111
methyl 2-[2-[(E)-[1-[2-(2-fluoroanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]acetate
CID 126215807

Frequently Asked Questions

What is the IUPAC name of 2-[(4E)-2,5-dioxo-4-[(5-piperidin-1-ylfuran-2-yl)methylidene]imidazolidin-1-yl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[(4E)-2,5-dioxo-4-[(5-piperidin-1-ylfuran-2-yl)methylidene]imidazolidin-1-yl]-N-(2-fluorophenyl)acetamide (CID 126221060) is 2-[(4E)-2,5-dioxo-4-[(5-piperidin-1-ylfuran-2-yl)methylidene]imidazolidin-1-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(4E)-2,5-dioxo-4-[(5-piperidin-1-ylfuran-2-yl)methylidene]imidazolidin-1-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[(4E)-2,5-dioxo-4-[(5-piperidin-1-ylfuran-2-yl)methylidene]imidazolidin-1-yl]-N-(2-fluorophenyl)acetamide is O=C(CN1C(=O)N/C(=C/c2ccc(N3CCCCC3)o2)C1=O)Nc1ccccc1F.
What is the InChIKey of 2-[(4E)-2,5-dioxo-4-[(5-piperidin-1-ylfuran-2-yl)methylidene]imidazolidin-1-yl]-N-(2-fluorophenyl)acetamide?
The InChIKey is YGCADOGOPJECJL-SFQUDFHCSA-N. The full InChI is InChI=1S/C21H21FN4O4/c22-15-6-2-3-7-16(15)23-18(27)13-26-20(28)17(24-21(26)29)12-14-8-9-19(30-14)25-10-4-1-5-11-25/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,23,27)(H,24,29)/b17-12+.
What are the key properties of 2-[(4E)-2,5-dioxo-4-[(5-piperidin-1-ylfuran-2-yl)methylidene]imidazolidin-1-yl]-N-(2-fluorophenyl)acetamide?
2-[(4E)-2,5-dioxo-4-[(5-piperidin-1-ylfuran-2-yl)methylidene]imidazolidin-1-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 412.42 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4E)-2,5-dioxo-4-[(5-piperidin-1-ylfuran-2-yl)methylidene]imidazolidin-1-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 126221060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).