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

C25H25ClF3N3O2S — CID 134303648

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

2-chloro-N-[2-[4-[(3,5-difluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6-fluorobenzamide (PubChem CID 134303648) has the molecular formula C25H25ClF3N3O2S and a molecular weight of 524.01 g/mol. Its IUPAC name is 2-chloro-N-[2-[4-[(3,5-difluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6-fluorobenzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[2-[4-[(3,5-difluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6-fluorobenzamide
• PubChem CID: 134303648
• Molecular Formula: C25H25ClF3N3O2S
• Molecular Weight: 524.01 g/mol
• Exact Mass: 523.13
• IUPAC Name: 2-chloro-N-[2-[4-[(3,5-difluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6-fluorobenzamide
• SMILES: Cc1ncsc1C(CNC(=O)c1c(F)cccc1Cl)N1CCC(OCc2cc(F)cc(F)c2)CC1
• InChI: InChI=1S/C25H25ClF3N3O2S/c1-15-24(35-14-31-15)22(12-30-25(33)23-20(26)3-2-4-21(23)29)32-7-5-19(6-8-32)34-13-16-9-17(27)11-18(28)10-16/h2-4,9-11,14,19,22H,5-8,12-13H2,1H3,(H,30,33)
• InChIKey: PRXRNXLRIFVBAQ-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.01
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-chloro-N-[2-[4-[(3,5-difluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6-fluorobenzamide (CID 134303648) is 2-chloro-N-[2-[4-[(3,5-difluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6-fluorobenzamide.

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

The canonical SMILES for 2-chloro-N-[2-[4-[(3,5-difluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6-fluorobenzamide is Cc1ncsc1C(CNC(=O)c1c(F)cccc1Cl)N1CCC(OCc2cc(F)cc(F)c2)CC1.

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

The InChIKey is PRXRNXLRIFVBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClF3N3O2S/c1-15-24(35-14-31-15)22(12-30-25(33)23-20(26)3-2-4-21(23)29)32-7-5-19(6-8-32)34-13-16-9-17(27)11-18(28)10-16/h2-4,9-11,14,19,22H,5-8,12-13H2,1H3,(H,30,33).

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

2-chloro-N-[2-[4-[(3,5-difluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6-fluorobenzamide has a molecular weight of 524.01 g/mol, XLogP of 5.67, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[2-[4-[(3,5-difluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6-fluorobenzamide is sourced from PubChem (CID 134303648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).