2-chloro-6-fluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide

C18H20ClFN2OS — CID 16896226

IUPAC2-chloro-6-fluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide
SMILESO=C(NCC1CCN(Cc2cccs2)CC1)c1c(F)cccc1Cl
InChIInChI=1S/C18H20ClFN2OS/c19-15-4-1-5-16(20)17(15)18(23)21-11-13-6-8-22(9-7-13)12-14-3-2-10-24-14/h1-5,10,13H,6-9,11-12H2,(H,21,23)
InChIKeySSZNDYMGLVJKHH-UHFFFAOYSA-N
MW366.89 g/mol
LogP4.18
Rot. Bonds5

About 2-chloro-6-fluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide

2-chloro-6-fluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide (PubChem CID 16896226) has the molecular formula C18H20ClFN2OS and a molecular weight of 366.89 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide
PubChem CID16896226
Molecular FormulaC18H20ClFN2OS
Molecular Weight366.89 g/mol
Exact Mass366.10
IUPAC Name2-chloro-6-fluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide
SMILESO=C(NCC1CCN(Cc2cccs2)CC1)c1c(F)cccc1Cl
InChIInChI=1S/C18H20ClFN2OS/c19-15-4-1-5-16(20)17(15)18(23)21-11-13-6-8-22(9-7-13)12-14-3-2-10-24-14/h1-5,10,13H,6-9,11-12H2,(H,21,23)
InChIKeySSZNDYMGLVJKHH-UHFFFAOYSA-N
XLogP4.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide (CID 16896226) is 2-chloro-6-fluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide is O=C(NCC1CCN(Cc2cccs2)CC1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide?
The InChIKey is SSZNDYMGLVJKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2OS/c19-15-4-1-5-16(20)17(15)18(23)21-11-13-6-8-22(9-7-13)12-14-3-2-10-24-14/h1-5,10,13H,6-9,11-12H2,(H,21,23).
What are the key properties of 2-chloro-6-fluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide?
2-chloro-6-fluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide has a molecular weight of 366.89 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 16896226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).