5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-2-oxoethyl]benzamide

C26H23Cl2FN4O2 — CID 147651895

About 5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-2-oxoethyl]benzamide

5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-2-oxoethyl]benzamide (PubChem CID 147651895) has the molecular formula C26H23Cl2FN4O2 and a molecular weight of 513.40 g/mol. Its IUPAC name is 5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-2-oxoethyl]benzamide.

Molecular Properties

• Compound Name: 5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-2-oxoethyl]benzamide
• PubChem CID: 147651895
• Molecular Formula: C26H23Cl2FN4O2
• Molecular Weight: 513.40 g/mol
• Exact Mass: 512.12
• IUPAC Name: 5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-2-oxoethyl]benzamide
• SMILES: [H]/N=C(/c1ccc(C(=O)Cc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCCCC1
• InChI: InChI=1S/C26H23Cl2FN4O2/c27-18-6-4-16(21(14-18)26(35)32-24-9-7-19(28)15-31-24)13-23(34)20-8-5-17(12-22(20)29)25(30)33-10-2-1-3-11-33/h4-9,12,14-15,30H,1-3,10-11,13H2,(H,31,32,35)/b30-25-
• InChIKey: GJQXDUOEJOGKJV-JVCXMKTPSA-N
• XLogP: 6.02
• TPSA: 86.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.40
LogP ≤ 5	6.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-2-oxoethyl]benzamide?

The IUPAC name of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-2-oxoethyl]benzamide (CID 147651895) is 5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-2-oxoethyl]benzamide.

What is the SMILES notation for 5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-2-oxoethyl]benzamide?

The canonical SMILES for 5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-2-oxoethyl]benzamide is [H]/N=C(/c1ccc(C(=O)Cc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCCCC1.

What is the InChIKey of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-2-oxoethyl]benzamide?

The InChIKey is GJQXDUOEJOGKJV-JVCXMKTPSA-N. The full InChI is InChI=1S/C26H23Cl2FN4O2/c27-18-6-4-16(21(14-18)26(35)32-24-9-7-19(28)15-31-24)13-23(34)20-8-5-17(12-22(20)29)25(30)33-10-2-1-3-11-33/h4-9,12,14-15,30H,1-3,10-11,13H2,(H,31,32,35)/b30-25-.

What are the key properties of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-2-oxoethyl]benzamide?

5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-2-oxoethyl]benzamide has a molecular weight of 513.40 g/mol, XLogP of 6.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 147651895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).