N-(4-chlorophenyl)-4-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]butanamide

C22H22ClFN4O4 — CID 55863349

About N-(4-chlorophenyl)-4-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]butanamide

N-(4-chlorophenyl)-4-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]butanamide (PubChem CID 55863349) has the molecular formula C22H22ClFN4O4 and a molecular weight of 460.89 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]butanamide.

Molecular Properties

• Compound Name: N-(4-chlorophenyl)-4-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]butanamide
• PubChem CID: 55863349
• Molecular Formula: C22H22ClFN4O4
• Molecular Weight: 460.89 g/mol
• Exact Mass: 460.13
• IUPAC Name: N-(4-chlorophenyl)-4-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]butanamide
• SMILES: CC1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCCCC(=O)Nc2ccc(Cl)cc2)C1=O
• InChI: InChI=1S/C22H22ClFN4O4/c1-22(14-4-8-16(24)9-5-14)20(31)28(21(32)27-22)13-19(30)25-12-2-3-18(29)26-17-10-6-15(23)7-11-17/h4-11H,2-3,12-13H2,1H3,(H,25,30)(H,26,29)(H,27,32)
• InChIKey: DNCQCAPDKICEJF-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 107.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.89
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]butanamide?

The IUPAC name of N-(4-chlorophenyl)-4-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]butanamide (CID 55863349) is N-(4-chlorophenyl)-4-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]butanamide.

What is the SMILES notation for N-(4-chlorophenyl)-4-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]butanamide?

The canonical SMILES for N-(4-chlorophenyl)-4-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]butanamide is CC1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCCCC(=O)Nc2ccc(Cl)cc2)C1=O.

What is the InChIKey of N-(4-chlorophenyl)-4-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]butanamide?

The InChIKey is DNCQCAPDKICEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClFN4O4/c1-22(14-4-8-16(24)9-5-14)20(31)28(21(32)27-22)13-19(30)25-12-2-3-18(29)26-17-10-6-15(23)7-11-17/h4-11H,2-3,12-13H2,1H3,(H,25,30)(H,26,29)(H,27,32).

What are the key properties of N-(4-chlorophenyl)-4-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]butanamide?

N-(4-chlorophenyl)-4-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]butanamide has a molecular weight of 460.89 g/mol, XLogP of 2.78, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chlorophenyl)-4-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]butanamide is sourced from PubChem (CID 55863349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).