2,4-difluoro-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide

C18H20F2N2OS — CID 90522591

IUPAC2,4-difluoro-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
SMILESO=C(NCCN1CCC(c2cccs2)CC1)c1ccc(F)cc1F
InChIInChI=1S/C18H20F2N2OS/c19-14-3-4-15(16(20)12-14)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)
InChIKeyVCDWNIPUUVIZEI-UHFFFAOYSA-N
MW350.43 g/mol
LogP3.64
Rot. Bonds5

About 2,4-difluoro-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide

2,4-difluoro-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide (PubChem CID 90522591) has the molecular formula C18H20F2N2OS and a molecular weight of 350.43 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
PubChem CID90522591
Molecular FormulaC18H20F2N2OS
Molecular Weight350.43 g/mol
Exact Mass350.13
IUPAC Name2,4-difluoro-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
SMILESO=C(NCCN1CCC(c2cccs2)CC1)c1ccc(F)cc1F
InChIInChI=1S/C18H20F2N2OS/c19-14-3-4-15(16(20)12-14)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)
InChIKeyVCDWNIPUUVIZEI-UHFFFAOYSA-N
XLogP3.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
CID 90522639
N'-(2-fluorophenyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxamide
CID 90522812
2,4-difluoro-N-[4-[2-(4-methylpiperidin-1-yl)ethylamino]-4-oxobutyl]benzamide
CID 55717928
4-bromo-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
CID 90522657
2-ethylsulfanyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
CID 71787089
2,4-difluoro-N-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]benzamide
CID 51192387
N-[2-[(2,4-difluorobenzoyl)amino]ethyl]thiophene-2-carboxamide
CID 108573971
4-ethoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
CID 71787078
4-propyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]thiadiazole-5-carboxamide
CID 71787081
N-[2-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)ethyl]-2,4-difluorobenzamide
CID 139703076
2,5-difluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 47036202
2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]acetamide
CID 90522589

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide (CID 90522591) is 2,4-difluoro-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide is O=C(NCCN1CCC(c2cccs2)CC1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide?
The InChIKey is VCDWNIPUUVIZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2OS/c19-14-3-4-15(16(20)12-14)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 2,4-difluoro-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide?
2,4-difluoro-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide has a molecular weight of 350.43 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide is sourced from PubChem (CID 90522591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).