2-chloro-6-fluoro-N-[2-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide

C25H26ClF2N3O2S — CID 134303523

About 2-chloro-6-fluoro-N-[2-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide

2-chloro-6-fluoro-N-[2-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide (PubChem CID 134303523) has the molecular formula C25H26ClF2N3O2S and a molecular weight of 506.02 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[2-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-6-fluoro-N-[2-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
• PubChem CID: 134303523
• Molecular Formula: C25H26ClF2N3O2S
• Molecular Weight: 506.02 g/mol
• Exact Mass: 505.14
• IUPAC Name: 2-chloro-6-fluoro-N-[2-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
• SMILES: Cc1ncsc1C(CNC(=O)c1c(F)cccc1Cl)N1CCC(OCc2ccccc2F)CC1
• InChI: InChI=1S/C25H26ClF2N3O2S/c1-16-24(34-15-30-16)22(13-29-25(32)23-19(26)6-4-8-21(23)28)31-11-9-18(10-12-31)33-14-17-5-2-3-7-20(17)27/h2-8,15,18,22H,9-14H2,1H3,(H,29,32)
• InChIKey: FIKKUQPDHHFZLO-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.02
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[2-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide?

The IUPAC name of 2-chloro-6-fluoro-N-[2-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide (CID 134303523) is 2-chloro-6-fluoro-N-[2-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide.

What is the SMILES notation for 2-chloro-6-fluoro-N-[2-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide?

The canonical SMILES for 2-chloro-6-fluoro-N-[2-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide is Cc1ncsc1C(CNC(=O)c1c(F)cccc1Cl)N1CCC(OCc2ccccc2F)CC1.

What is the InChIKey of 2-chloro-6-fluoro-N-[2-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide?

The InChIKey is FIKKUQPDHHFZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClF2N3O2S/c1-16-24(34-15-30-16)22(13-29-25(32)23-19(26)6-4-8-21(23)28)31-11-9-18(10-12-31)33-14-17-5-2-3-7-20(17)27/h2-8,15,18,22H,9-14H2,1H3,(H,29,32).

What are the key properties of 2-chloro-6-fluoro-N-[2-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide?

2-chloro-6-fluoro-N-[2-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide has a molecular weight of 506.02 g/mol, XLogP of 5.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-6-fluoro-N-[2-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 134303523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).