2-[(4E)-4-[[1-[(2R)-butan-2-yl]indol-3-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide

C24H23FN4O3 — CID 126206163

IUPAC2-[(4E)-4-[[1-[(2R)-butan-2-yl]indol-3-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
SMILESCC[C@@H](C)n1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c2ccccc21
InChIInChI=1S/C24H23FN4O3/c1-3-15(2)28-13-16(17-8-4-7-11-21(17)28)12-20-23(31)29(24(32)27-20)14-22(30)26-19-10-6-5-9-18(19)25/h4-13,15H,3,14H2,1-2H3,(H,26,30)(H,27,32)/b20-12+/t15-/m1/s1
InChIKeyFXEWFJBCNKFYDO-RVZJCZPVSA-N
MW434.47 g/mol
LogP4.28
Rot. Bonds6

About 2-[(4E)-4-[[1-[(2R)-butan-2-yl]indol-3-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide

2-[(4E)-4-[[1-[(2R)-butan-2-yl]indol-3-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 126206163) has the molecular formula C24H23FN4O3 and a molecular weight of 434.47 g/mol. Its IUPAC name is 2-[(4E)-4-[[1-[(2R)-butan-2-yl]indol-3-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4E)-4-[[1-[(2R)-butan-2-yl]indol-3-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
PubChem CID126206163
Molecular FormulaC24H23FN4O3
Molecular Weight434.47 g/mol
Exact Mass434.18
IUPAC Name2-[(4E)-4-[[1-[(2R)-butan-2-yl]indol-3-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
SMILESCC[C@@H](C)n1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c2ccccc21
InChIInChI=1S/C24H23FN4O3/c1-3-15(2)28-13-16(17-8-4-7-11-21(17)28)12-20-23(31)29(24(32)27-20)14-22(30)26-19-10-6-5-9-18(19)25/h4-13,15H,3,14H2,1-2H3,(H,26,30)(H,27,32)/b20-12+/t15-/m1/s1
InChIKeyFXEWFJBCNKFYDO-RVZJCZPVSA-N
XLogP4.28
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 54.28
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-[(4E)-4-[[1-[(2S)-butan-2-yl]indol-3-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide
CID 126253804
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-(anthracen-9-ylmethylidene)-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 126223490
2-[(4E)-4-[(4-ethoxynaphthalen-1-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 126208081
N-(2-fluorophenyl)-2-[(4E)-4-[(5-methyl-1-propan-2-ylpyrrol-3-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 50857074
2-[3-[(E)-[1-[2-(2-ethylanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]indol-1-yl]acetic acid
CID 126235514
2-[(4E)-4-[[4-[(2R)-butan-2-yl]oxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 126207554
2-[(4E)-4-[[1-(cyanomethyl)indol-3-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide
CID 126244969
2-[(4E)-4-[[3-bromo-4-[(2S)-butan-2-yl]oxy-5-methoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 126221366
methyl 2-[2-[(E)-[1-[2-(2-fluoroanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]acetate
CID 126215807
2-[4-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 5079573
2-[(5E)-5-[[1-[(2S)-butan-2-yl]indol-3-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3-fluorophenyl)acetamide
CID 126248908

Frequently Asked Questions

What is the IUPAC name of 2-[(4E)-4-[[1-[(2R)-butan-2-yl]indol-3-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[(4E)-4-[[1-[(2R)-butan-2-yl]indol-3-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide (CID 126206163) is 2-[(4E)-4-[[1-[(2R)-butan-2-yl]indol-3-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(4E)-4-[[1-[(2R)-butan-2-yl]indol-3-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[(4E)-4-[[1-[(2R)-butan-2-yl]indol-3-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide is CC[C@@H](C)n1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c2ccccc21.
What is the InChIKey of 2-[(4E)-4-[[1-[(2R)-butan-2-yl]indol-3-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide?
The InChIKey is FXEWFJBCNKFYDO-RVZJCZPVSA-N. The full InChI is InChI=1S/C24H23FN4O3/c1-3-15(2)28-13-16(17-8-4-7-11-21(17)28)12-20-23(31)29(24(32)27-20)14-22(30)26-19-10-6-5-9-18(19)25/h4-13,15H,3,14H2,1-2H3,(H,26,30)(H,27,32)/b20-12+/t15-/m1/s1.
What are the key properties of 2-[(4E)-4-[[1-[(2R)-butan-2-yl]indol-3-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide?
2-[(4E)-4-[[1-[(2R)-butan-2-yl]indol-3-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 434.47 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4E)-4-[[1-[(2R)-butan-2-yl]indol-3-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 126206163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).