2-chloro-4-fluoro-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide

C18H20ClFN2OS — CID 71787082

IUPAC2-chloro-4-fluoro-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
SMILESO=C(NCCN1CCC(c2cccs2)CC1)c1ccc(F)cc1Cl
InChIInChI=1S/C18H20ClFN2OS/c19-16-12-14(20)3-4-15(16)18(23)21-7-10-22-8-5-13(6-9-22)17-2-1-11-24-17/h1-4,11-13H,5-10H2,(H,21,23)
InChIKeyLSLJLUJRRLNSOS-UHFFFAOYSA-N
MW366.89 g/mol
LogP4.15
Rot. Bonds5

About 2-chloro-4-fluoro-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide

2-chloro-4-fluoro-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide (PubChem CID 71787082) has the molecular formula C18H20ClFN2OS and a molecular weight of 366.89 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
PubChem CID71787082
Molecular FormulaC18H20ClFN2OS
Molecular Weight366.89 g/mol
Exact Mass366.10
IUPAC Name2-chloro-4-fluoro-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
SMILESO=C(NCCN1CCC(c2cccs2)CC1)c1ccc(F)cc1Cl
InChIInChI=1S/C18H20ClFN2OS/c19-16-12-14(20)3-4-15(16)18(23)21-7-10-22-8-5-13(6-9-22)17-2-1-11-24-17/h1-4,11-13H,5-10H2,(H,21,23)
InChIKeyLSLJLUJRRLNSOS-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide (CID 71787082) is 2-chloro-4-fluoro-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide is O=C(NCCN1CCC(c2cccs2)CC1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide?
The InChIKey is LSLJLUJRRLNSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2OS/c19-16-12-14(20)3-4-15(16)18(23)21-7-10-22-8-5-13(6-9-22)17-2-1-11-24-17/h1-4,11-13H,5-10H2,(H,21,23).
What are the key properties of 2-chloro-4-fluoro-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide?
2-chloro-4-fluoro-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide has a molecular weight of 366.89 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide is sourced from PubChem (CID 71787082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).