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

C25H27ClFN3O2S — CID 118289523

IUPAC2-chloro-6-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenylmethoxypiperidin-1-yl)ethyl]benzamide
SMILESCc1ncsc1C(CNC(=O)c1c(F)cccc1Cl)N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C25H27ClFN3O2S/c1-17-24(33-16-29-17)22(14-28-25(31)23-20(26)8-5-9-21(23)27)30-12-10-19(11-13-30)32-15-18-6-3-2-4-7-18/h2-9,16,19,22H,10-15H2,1H3,(H,28,31)
InChIKeyCQPGFPKWUHIVHX-UHFFFAOYSA-N
MW488.03 g/mol
LogP5.40
Rot. Bonds8

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

2-chloro-6-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenylmethoxypiperidin-1-yl)ethyl]benzamide (PubChem CID 118289523) has the molecular formula C25H27ClFN3O2S and a molecular weight of 488.03 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenylmethoxypiperidin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenylmethoxypiperidin-1-yl)ethyl]benzamide
PubChem CID118289523
Molecular FormulaC25H27ClFN3O2S
Molecular Weight488.03 g/mol
Exact Mass487.15
IUPAC Name2-chloro-6-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenylmethoxypiperidin-1-yl)ethyl]benzamide
SMILESCc1ncsc1C(CNC(=O)c1c(F)cccc1Cl)N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C25H27ClFN3O2S/c1-17-24(33-16-29-17)22(14-28-25(31)23-20(26)8-5-9-21(23)27)30-12-10-19(11-13-30)32-15-18-6-3-2-4-7-18/h2-9,16,19,22H,10-15H2,1H3,(H,28,31)
InChIKeyCQPGFPKWUHIVHX-UHFFFAOYSA-N
XLogP5.40
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.03
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
2-chloro-6-fluoro-N-(2-{4-[(4-fluorophenyl)methoxy]piperidin-1-yl]}-2-(4-methyl-1,3-thiazol-5-yl)ethyl)benzamide
CID 134303606
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
2-chloro-6-fluoro-N-(2-{4-[(3-fluorophenyl)methoxy]piperidin-1-yl}-2-(4-methyl-1,3-thiazol-5-yl)ethyl)benzamide
CID 134303675
2-chloro-N-[2-(3,3-difluoropiperidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6-fluorobenzamide
CID 118289462
N-{2-[4-(benzyloxy)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-5-yl)ethyl}-2-chloro-6-fluorobenzamide
CID 118289482
2-chloro-6-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]benzamide
CID 118289486
2-chloro-6-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenoxypiperidin-1-yl)ethyl]benzamide
CID 118289487
2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6-fluorobenzamide
CID 118289497
2-chloro-6-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-(morpholin-4-yl)ethyl]benzamide
CID 118289505
2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]-6-fluorobenzamide
CID 118289526
2-chloro-6-fluoro-N-[2-(4-phenoxypiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethyl]benzamide
CID 118289544

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenylmethoxypiperidin-1-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenylmethoxypiperidin-1-yl)ethyl]benzamide (CID 118289523) is 2-chloro-6-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenylmethoxypiperidin-1-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenylmethoxypiperidin-1-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenylmethoxypiperidin-1-yl)ethyl]benzamide is Cc1ncsc1C(CNC(=O)c1c(F)cccc1Cl)N1CCC(OCc2ccccc2)CC1.
What is the InChIKey of 2-chloro-6-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenylmethoxypiperidin-1-yl)ethyl]benzamide?
The InChIKey is CQPGFPKWUHIVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClFN3O2S/c1-17-24(33-16-29-17)22(14-28-25(31)23-20(26)8-5-9-21(23)27)30-12-10-19(11-13-30)32-15-18-6-3-2-4-7-18/h2-9,16,19,22H,10-15H2,1H3,(H,28,31).
What are the key properties of 2-chloro-6-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenylmethoxypiperidin-1-yl)ethyl]benzamide?
2-chloro-6-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenylmethoxypiperidin-1-yl)ethyl]benzamide has a molecular weight of 488.03 g/mol, XLogP of 5.40, 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-methyl-1,3-thiazol-5-yl)-2-(4-phenylmethoxypiperidin-1-yl)ethyl]benzamide is sourced from PubChem (CID 118289523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).