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

C25H27ClFN3O2S — CID 118289482

IUPAC2-chloro-6-fluoro-N-[2-(2-methyl-1,3-thiazol-5-yl)-2-(4-phenylmethoxypiperidin-1-yl)ethyl]benzamide
SMILESCc1ncc(C(CNC(=O)c2c(F)cccc2Cl)N2CCC(OCc3ccccc3)CC2)s1
InChIInChI=1S/C25H27ClFN3O2S/c1-17-28-15-23(33-17)22(14-29-25(31)24-20(26)8-5-9-21(24)27)30-12-10-19(11-13-30)32-16-18-6-3-2-4-7-18/h2-9,15,19,22H,10-14,16H2,1H3,(H,29,31)
InChIKeyJPPMCJMBEHXBOA-UHFFFAOYSA-N
MW488.03 g/mol
LogP5.40
Rot. Bonds8

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

2-chloro-6-fluoro-N-[2-(2-methyl-1,3-thiazol-5-yl)-2-(4-phenylmethoxypiperidin-1-yl)ethyl]benzamide (PubChem CID 118289482) has the molecular formula C25H27ClFN3O2S and a molecular weight of 488.03 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[2-(2-methyl-1,3-thiazol-5-yl)-2-(4-phenylmethoxypiperidin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[2-(2-methyl-1,3-thiazol-5-yl)-2-(4-phenylmethoxypiperidin-1-yl)ethyl]benzamide
PubChem CID118289482
Molecular FormulaC25H27ClFN3O2S
Molecular Weight488.03 g/mol
Exact Mass487.15
IUPAC Name2-chloro-6-fluoro-N-[2-(2-methyl-1,3-thiazol-5-yl)-2-(4-phenylmethoxypiperidin-1-yl)ethyl]benzamide
SMILESCc1ncc(C(CNC(=O)c2c(F)cccc2Cl)N2CCC(OCc3ccccc3)CC2)s1
InChIInChI=1S/C25H27ClFN3O2S/c1-17-28-15-23(33-17)22(14-29-25(31)24-20(26)8-5-9-21(24)27)30-12-10-19(11-13-30)32-16-18-6-3-2-4-7-18/h2-9,15,19,22H,10-14,16H2,1H3,(H,29,31)
InChIKeyJPPMCJMBEHXBOA-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-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethyl]-6-fluorobenzamide
CID 164517820
2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-(2-fluoro-6-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethyl]-6-fluorobenzamide
CID 164517866
2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyridin-3-yloxypiperidin-1-yl)ethyl]-6-fluorobenzamide
CID 164517848
2-chloro-N-[2-[4-[(6-chloro-2-pyridinyl)oxy]piperidin-1-yl]-2-[4-(difluoromethyl)-1,3-thiazol-5-yl]ethyl]-6-fluorobenzamide
CID 164517813
N-[2-[4-(1,3-benzoxazol-2-yloxy)piperidin-1-yl]-2-[4-(difluoromethyl)-1,3-thiazol-5-yl]ethyl]-2-chloro-6-fluorobenzamide
CID 164517801
2,6-difluoro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 51931088
2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]ethyl]-6-fluorobenzamide
CID 164517874
2-chloro-6-fluoro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 112506509
2-chloro-5-[(Z)-1,2-diaminoethenyl]-N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 134404966
2-chloro-N-[2-[4-(3-cyanopyrazin-2-yl)oxypiperidin-1-yl]-2-[4-(difluoromethyl)-2,3-dihydro-1,3-thiazol-5-yl]ethyl]-6-fluorobenzamide
CID 167114550
N-(2-amino-2-cyclopropylethyl)-2-chloro-6-fluorobenzamide
CID 115301115
2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-6-fluorobenzamide
CID 164517833

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[2-(2-methyl-1,3-thiazol-5-yl)-2-(4-phenylmethoxypiperidin-1-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[2-(2-methyl-1,3-thiazol-5-yl)-2-(4-phenylmethoxypiperidin-1-yl)ethyl]benzamide (CID 118289482) is 2-chloro-6-fluoro-N-[2-(2-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-(2-methyl-1,3-thiazol-5-yl)-2-(4-phenylmethoxypiperidin-1-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[2-(2-methyl-1,3-thiazol-5-yl)-2-(4-phenylmethoxypiperidin-1-yl)ethyl]benzamide is Cc1ncc(C(CNC(=O)c2c(F)cccc2Cl)N2CCC(OCc3ccccc3)CC2)s1.
What is the InChIKey of 2-chloro-6-fluoro-N-[2-(2-methyl-1,3-thiazol-5-yl)-2-(4-phenylmethoxypiperidin-1-yl)ethyl]benzamide?
The InChIKey is JPPMCJMBEHXBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClFN3O2S/c1-17-28-15-23(33-17)22(14-29-25(31)24-20(26)8-5-9-21(24)27)30-12-10-19(11-13-30)32-16-18-6-3-2-4-7-18/h2-9,15,19,22H,10-14,16H2,1H3,(H,29,31).
What are the key properties of 2-chloro-6-fluoro-N-[2-(2-methyl-1,3-thiazol-5-yl)-2-(4-phenylmethoxypiperidin-1-yl)ethyl]benzamide?
2-chloro-6-fluoro-N-[2-(2-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-(2-methyl-1,3-thiazol-5-yl)-2-(4-phenylmethoxypiperidin-1-yl)ethyl]benzamide is sourced from PubChem (CID 118289482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).