N-[(2-chloro-4-fluorophenyl)-(5-chloro-8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide;N-[(2-chloro-6-fluorophenyl)-(5-chloro-8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide

C48H34Cl4F2N4O6 — CID 159332913

About N-[(2-chloro-4-fluorophenyl)-(5-chloro-8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide;N-[(2-chloro-6-fluorophenyl)-(5-chloro-8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide

N-[(2-chloro-4-fluorophenyl)-(5-chloro-8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide;N-[(2-chloro-6-fluorophenyl)-(5-chloro-8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide (PubChem CID 159332913) has the molecular formula C48H34Cl4F2N4O6 and a molecular weight of 942.63 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)-(5-chloro-8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide;N-[(2-chloro-6-fluorophenyl)-(5-chloro-8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide.

Molecular Properties

• Compound Name: N-[(2-chloro-4-fluorophenyl)-(5-chloro-8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide;N-[(2-chloro-6-fluorophenyl)-(5-chloro-8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide
• PubChem CID: 159332913
• Molecular Formula: C48H34Cl4F2N4O6
• Molecular Weight: 942.63 g/mol
• Exact Mass: 940.12
• IUPAC Name: N-[(2-chloro-4-fluorophenyl)-(5-chloro-8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide;N-[(2-chloro-6-fluorophenyl)-(5-chloro-8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide
• SMILES: O=C(COc1ccccc1)NC(c1cc(Cl)c2cccnc2c1O)c1c(F)cccc1Cl.O=C(COc1ccccc1)NC(c1ccc(F)cc1Cl)c1cc(Cl)c2cccnc2c1O
• InChI: InChI=1S/2C24H17Cl2FN2O3/c25-17-9-4-10-19(27)21(17)22(29-20(30)13-32-14-6-2-1-3-7-14)16-12-18(26)15-8-5-11-28-23(15)24(16)31;25-19-11-14(27)8-9-17(19)22(29-21(30)13-32-15-5-2-1-3-6-15)18-12-20(26)16-7-4-10-28-23(16)24(18)31/h2*1-12,22,31H,13H2,(H,29,30)
• InChIKey: LFEGQCNCAOYVMD-UHFFFAOYSA-N
• XLogP: 11.34
• TPSA: 142.90 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	942.63
LogP ≤ 5	11.34
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)-(5-chloro-8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide;N-[(2-chloro-6-fluorophenyl)-(5-chloro-8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide?

The IUPAC name of N-[(2-chloro-4-fluorophenyl)-(5-chloro-8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide;N-[(2-chloro-6-fluorophenyl)-(5-chloro-8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide (CID 159332913) is N-[(2-chloro-4-fluorophenyl)-(5-chloro-8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide;N-[(2-chloro-6-fluorophenyl)-(5-chloro-8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide.

What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)-(5-chloro-8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide;N-[(2-chloro-6-fluorophenyl)-(5-chloro-8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide?

The canonical SMILES for N-[(2-chloro-4-fluorophenyl)-(5-chloro-8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide;N-[(2-chloro-6-fluorophenyl)-(5-chloro-8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide is O=C(COc1ccccc1)NC(c1cc(Cl)c2cccnc2c1O)c1c(F)cccc1Cl.O=C(COc1ccccc1)NC(c1ccc(F)cc1Cl)c1cc(Cl)c2cccnc2c1O.

What is the InChIKey of N-[(2-chloro-4-fluorophenyl)-(5-chloro-8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide;N-[(2-chloro-6-fluorophenyl)-(5-chloro-8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide?

The InChIKey is LFEGQCNCAOYVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H17Cl2FN2O3/c25-17-9-4-10-19(27)21(17)22(29-20(30)13-32-14-6-2-1-3-7-14)16-12-18(26)15-8-5-11-28-23(15)24(16)31;25-19-11-14(27)8-9-17(19)22(29-21(30)13-32-15-5-2-1-3-6-15)18-12-20(26)16-7-4-10-28-23(16)24(18)31/h2*1-12,22,31H,13H2,(H,29,30).

What are the key properties of N-[(2-chloro-4-fluorophenyl)-(5-chloro-8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide;N-[(2-chloro-6-fluorophenyl)-(5-chloro-8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide?

N-[(2-chloro-4-fluorophenyl)-(5-chloro-8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide;N-[(2-chloro-6-fluorophenyl)-(5-chloro-8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide has a molecular weight of 942.63 g/mol, XLogP of 11.34, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-chloro-4-fluorophenyl)-(5-chloro-8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide;N-[(2-chloro-6-fluorophenyl)-(5-chloro-8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide is sourced from PubChem (CID 159332913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).