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

C27H24Cl2FN3O2 — CID 147923757

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

5-chloro-N-(4-chlorophenyl)-2-[2-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-2-oxoethyl]benzamide (PubChem CID 147923757) has the molecular formula C27H24Cl2FN3O2 and a molecular weight of 512.41 g/mol. Its IUPAC name is 5-chloro-N-(4-chlorophenyl)-2-[2-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-2-oxoethyl]benzamide.

Molecular Properties

• Compound Name: 5-chloro-N-(4-chlorophenyl)-2-[2-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-2-oxoethyl]benzamide
• PubChem CID: 147923757
• Molecular Formula: C27H24Cl2FN3O2
• Molecular Weight: 512.41 g/mol
• Exact Mass: 511.12
• IUPAC Name: 5-chloro-N-(4-chlorophenyl)-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)cc2)c(F)c1)N1CCCCC1
• InChI: InChI=1S/C27H24Cl2FN3O2/c28-19-7-9-21(10-8-19)32-27(35)23-16-20(29)6-4-17(23)15-25(34)22-11-5-18(14-24(22)30)26(31)33-12-2-1-3-13-33/h4-11,14,16,31H,1-3,12-13,15H2,(H,32,35)/b31-26-
• InChIKey: IINMRKHRGPOTAM-ZXPTYKNPSA-N
• XLogP: 6.62
• TPSA: 73.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.41
LogP ≤ 5	6.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

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-(4-chlorophenyl)-2-[2-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-2-oxoethyl]benzamide?

The IUPAC name of 5-chloro-N-(4-chlorophenyl)-2-[2-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-2-oxoethyl]benzamide (CID 147923757) is 5-chloro-N-(4-chlorophenyl)-2-[2-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-2-oxoethyl]benzamide.

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

The canonical SMILES for 5-chloro-N-(4-chlorophenyl)-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)cc2)c(F)c1)N1CCCCC1.

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

The InChIKey is IINMRKHRGPOTAM-ZXPTYKNPSA-N. The full InChI is InChI=1S/C27H24Cl2FN3O2/c28-19-7-9-21(10-8-19)32-27(35)23-16-20(29)6-4-17(23)15-25(34)22-11-5-18(14-24(22)30)26(31)33-12-2-1-3-13-33/h4-11,14,16,31H,1-3,12-13,15H2,(H,32,35)/b31-26-.

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

5-chloro-N-(4-chlorophenyl)-2-[2-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-2-oxoethyl]benzamide has a molecular weight of 512.41 g/mol, XLogP of 6.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-(4-chlorophenyl)-2-[2-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 147923757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).