N-(4-chlorophenyl)-2-[4-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide

C22H20ClFN4O3 — CID 4240703

IUPACN-(4-chlorophenyl)-2-[4-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESO=C(CN1C(=O)NC(=Cc2ccc(N3CCCC3)c(F)c2)C1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C22H20ClFN4O3/c23-15-4-6-16(7-5-15)25-20(29)13-28-21(30)18(26-22(28)31)12-14-3-8-19(17(24)11-14)27-9-1-2-10-27/h3-8,11-12H,1-2,9-10,13H2,(H,25,29)(H,26,31)
InChIKeyBQJOJCMPXWVEDD-UHFFFAOYSA-N
MW442.88 g/mol
LogP3.61
Rot. Bonds5

About N-(4-chlorophenyl)-2-[4-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide

N-(4-chlorophenyl)-2-[4-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 4240703) has the molecular formula C22H20ClFN4O3 and a molecular weight of 442.88 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[4-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[4-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID4240703
Molecular FormulaC22H20ClFN4O3
Molecular Weight442.88 g/mol
Exact Mass442.12
IUPAC NameN-(4-chlorophenyl)-2-[4-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESO=C(CN1C(=O)NC(=Cc2ccc(N3CCCC3)c(F)c2)C1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C22H20ClFN4O3/c23-15-4-6-16(7-5-15)25-20(29)13-28-21(30)18(26-22(28)31)12-14-3-8-19(17(24)11-14)27-9-1-2-10-27/h3-8,11-12H,1-2,9-10,13H2,(H,25,29)(H,26,31)
InChIKeyBQJOJCMPXWVEDD-UHFFFAOYSA-N
XLogP3.61
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.88
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-2-[2,5-dioxo-4-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidin-1-yl]acetamide
CID 4009588
2-[(4Z)-4-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 126154508
N-(4-chlorophenyl)-2-[(4E)-4-[(4-morpholin-4-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 6382274
2-[(4Z)-4-[(4-chlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 19256098
2-[2,5-dioxo-4-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidin-1-yl]-N-phenylacetamide
CID 4585152
2-[4-[[4-(4-chlorophenyl)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 77425794
N-(4-chlorophenyl)-3-[(4Z)-4-[(4-chlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]propanamide
CID 6229399
2-[(4E)-4-[(3,4-dichlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 126029584
2-[(4Z)-4-[(5-chloro-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 16632702
N-(4-chlorophenyl)-2-[(4Z)-4-[(2,3-dichlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16632719
N-(4-ethoxyphenyl)-2-[(5Z)-5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126081218
2-[(4Z)-4-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-chlorophenyl)acetamide
CID 126379649

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[4-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[4-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide (CID 4240703) is N-(4-chlorophenyl)-2-[4-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[4-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[4-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide is O=C(CN1C(=O)NC(=Cc2ccc(N3CCCC3)c(F)c2)C1=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[4-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is BQJOJCMPXWVEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN4O3/c23-15-4-6-16(7-5-15)25-20(29)13-28-21(30)18(26-22(28)31)12-14-3-8-19(17(24)11-14)27-9-1-2-10-27/h3-8,11-12H,1-2,9-10,13H2,(H,25,29)(H,26,31).
What are the key properties of N-(4-chlorophenyl)-2-[4-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(4-chlorophenyl)-2-[4-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 442.88 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[4-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 4240703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).