2-chloro-N-[(4-fluorophenyl)methyl]-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide

C25H20ClFN2O3 — CID 1459108

About 2-chloro-N-[(4-fluorophenyl)methyl]-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide

2-chloro-N-[(4-fluorophenyl)methyl]-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide (PubChem CID 1459108) has the molecular formula C25H20ClFN2O3 and a molecular weight of 450.90 g/mol. Its IUPAC name is 2-chloro-N-[(4-fluorophenyl)methyl]-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[(4-fluorophenyl)methyl]-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
• PubChem CID: 1459108
• Molecular Formula: C25H20ClFN2O3
• Molecular Weight: 450.90 g/mol
• Exact Mass: 450.11
• IUPAC Name: 2-chloro-N-[(4-fluorophenyl)methyl]-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
• SMILES: COc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=O)c3ccccc3Cl)cc2c1
• InChI: InChI=1S/C25H20ClFN2O3/c1-32-20-10-11-23-17(13-20)12-18(24(30)28-23)15-29(14-16-6-8-19(27)9-7-16)25(31)21-4-2-3-5-22(21)26/h2-13H,14-15H2,1H3,(H,28,30)
• InChIKey: PPIRMTOYKWNSEW-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 62.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.90
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-fluorophenyl)methyl]-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide?

The IUPAC name of 2-chloro-N-[(4-fluorophenyl)methyl]-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide (CID 1459108) is 2-chloro-N-[(4-fluorophenyl)methyl]-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide.

What is the SMILES notation for 2-chloro-N-[(4-fluorophenyl)methyl]-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide?

The canonical SMILES for 2-chloro-N-[(4-fluorophenyl)methyl]-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide is COc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=O)c3ccccc3Cl)cc2c1.

What is the InChIKey of 2-chloro-N-[(4-fluorophenyl)methyl]-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide?

The InChIKey is PPIRMTOYKWNSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClFN2O3/c1-32-20-10-11-23-17(13-20)12-18(24(30)28-23)15-29(14-16-6-8-19(27)9-7-16)25(31)21-4-2-3-5-22(21)26/h2-13H,14-15H2,1H3,(H,28,30).

What are the key properties of 2-chloro-N-[(4-fluorophenyl)methyl]-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide?

2-chloro-N-[(4-fluorophenyl)methyl]-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide has a molecular weight of 450.90 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[(4-fluorophenyl)methyl]-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide is sourced from PubChem (CID 1459108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).