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

C24H25ClFN3O2S — CID 118289487

IUPAC2-chloro-6-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenoxypiperidin-1-yl)ethyl]benzamide
SMILESCc1ncsc1C(CNC(=O)c1c(F)cccc1Cl)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C24H25ClFN3O2S/c1-16-23(32-15-28-16)21(14-27-24(30)22-19(25)8-5-9-20(22)26)29-12-10-18(11-13-29)31-17-6-3-2-4-7-17/h2-9,15,18,21H,10-14H2,1H3,(H,27,30)
InChIKeyQKNMTSFGXSEFRZ-UHFFFAOYSA-N
MW474.00 g/mol
LogP5.26
Rot. Bonds7

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

2-chloro-6-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenoxypiperidin-1-yl)ethyl]benzamide (PubChem CID 118289487) has the molecular formula C24H25ClFN3O2S and a molecular weight of 474.00 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenoxypiperidin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenoxypiperidin-1-yl)ethyl]benzamide
PubChem CID118289487
Molecular FormulaC24H25ClFN3O2S
Molecular Weight474.00 g/mol
Exact Mass473.13
IUPAC Name2-chloro-6-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenoxypiperidin-1-yl)ethyl]benzamide
SMILESCc1ncsc1C(CNC(=O)c1c(F)cccc1Cl)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C24H25ClFN3O2S/c1-16-23(32-15-28-16)21(14-27-24(30)22-19(25)8-5-9-20(22)26)29-12-10-18(11-13-29)31-17-6-3-2-4-7-17/h2-9,15,18,21H,10-14H2,1H3,(H,27,30)
InChIKeyQKNMTSFGXSEFRZ-UHFFFAOYSA-N
XLogP5.26
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.00
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenoxypiperidin-1-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenoxypiperidin-1-yl)ethyl]benzamide (CID 118289487) is 2-chloro-6-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenoxypiperidin-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-phenoxypiperidin-1-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenoxypiperidin-1-yl)ethyl]benzamide is Cc1ncsc1C(CNC(=O)c1c(F)cccc1Cl)N1CCC(Oc2ccccc2)CC1.
What is the InChIKey of 2-chloro-6-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenoxypiperidin-1-yl)ethyl]benzamide?
The InChIKey is QKNMTSFGXSEFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClFN3O2S/c1-16-23(32-15-28-16)21(14-27-24(30)22-19(25)8-5-9-20(22)26)29-12-10-18(11-13-29)31-17-6-3-2-4-7-17/h2-9,15,18,21H,10-14H2,1H3,(H,27,30).
What are the key properties of 2-chloro-6-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenoxypiperidin-1-yl)ethyl]benzamide?
2-chloro-6-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenoxypiperidin-1-yl)ethyl]benzamide has a molecular weight of 474.00 g/mol, XLogP of 5.26, 7 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-phenoxypiperidin-1-yl)ethyl]benzamide is sourced from PubChem (CID 118289487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).