2-[2-chloro-4-[(Z)-[1-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]-N-(2-fluorophenyl)acetamide

C25H18Cl2FN3O4 — CID 126374378

About 2-[2-chloro-4-[(Z)-[1-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]-N-(2-fluorophenyl)acetamide

2-[2-chloro-4-[(Z)-[1-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]-N-(2-fluorophenyl)acetamide (PubChem CID 126374378) has the molecular formula C25H18Cl2FN3O4 and a molecular weight of 514.34 g/mol. Its IUPAC name is 2-[2-chloro-4-[(Z)-[1-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]-N-(2-fluorophenyl)acetamide.

Molecular Properties

• Compound Name: 2-[2-chloro-4-[(Z)-[1-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]-N-(2-fluorophenyl)acetamide
• PubChem CID: 126374378
• Molecular Formula: C25H18Cl2FN3O4
• Molecular Weight: 514.34 g/mol
• Exact Mass: 513.07
• IUPAC Name: 2-[2-chloro-4-[(Z)-[1-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]-N-(2-fluorophenyl)acetamide
• SMILES: O=C(COc1ccc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1Cl)Nc1ccccc1F
• InChI: InChI=1S/C25H18Cl2FN3O4/c26-17-8-5-15(6-9-17)13-31-24(33)21(30-25(31)34)12-16-7-10-22(18(27)11-16)35-14-23(32)29-20-4-2-1-3-19(20)28/h1-12H,13-14H2,(H,29,32)(H,30,34)/b21-12-
• InChIKey: FRUBYKYJYZMPSU-MTJSOVHGSA-N
• XLogP: 5.24
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.34
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[(Z)-[1-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]-N-(2-fluorophenyl)acetamide?

The IUPAC name of 2-[2-chloro-4-[(Z)-[1-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]-N-(2-fluorophenyl)acetamide (CID 126374378) is 2-[2-chloro-4-[(Z)-[1-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]-N-(2-fluorophenyl)acetamide.

What is the SMILES notation for 2-[2-chloro-4-[(Z)-[1-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]-N-(2-fluorophenyl)acetamide?

The canonical SMILES for 2-[2-chloro-4-[(Z)-[1-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]-N-(2-fluorophenyl)acetamide is O=C(COc1ccc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1Cl)Nc1ccccc1F.

What is the InChIKey of 2-[2-chloro-4-[(Z)-[1-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]-N-(2-fluorophenyl)acetamide?

The InChIKey is FRUBYKYJYZMPSU-MTJSOVHGSA-N. The full InChI is InChI=1S/C25H18Cl2FN3O4/c26-17-8-5-15(6-9-17)13-31-24(33)21(30-25(31)34)12-16-7-10-22(18(27)11-16)35-14-23(32)29-20-4-2-1-3-19(20)28/h1-12H,13-14H2,(H,29,32)(H,30,34)/b21-12-.

What are the key properties of 2-[2-chloro-4-[(Z)-[1-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]-N-(2-fluorophenyl)acetamide?

2-[2-chloro-4-[(Z)-[1-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]-N-(2-fluorophenyl)acetamide has a molecular weight of 514.34 g/mol, XLogP of 5.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-chloro-4-[(Z)-[1-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 126374378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).