2-chloro-4-fluoro-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide

C19H22ClFN2OS — CID 43006400

IUPAC2-chloro-4-fluoro-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
SMILESCC1CCN(C(CNC(=O)c2ccc(F)cc2Cl)c2cccs2)CC1
InChIInChI=1S/C19H22ClFN2OS/c1-13-6-8-23(9-7-13)17(18-3-2-10-25-18)12-22-19(24)15-5-4-14(21)11-16(15)20/h2-5,10-11,13,17H,6-9,12H2,1H3,(H,22,24)
InChIKeyXKZIACBTJAQICD-UHFFFAOYSA-N
MW380.92 g/mol
LogP4.74
Rot. Bonds5

About 2-chloro-4-fluoro-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide

2-chloro-4-fluoro-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide (PubChem CID 43006400) has the molecular formula C19H22ClFN2OS and a molecular weight of 380.92 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
PubChem CID43006400
Molecular FormulaC19H22ClFN2OS
Molecular Weight380.92 g/mol
Exact Mass380.11
IUPAC Name2-chloro-4-fluoro-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
SMILESCC1CCN(C(CNC(=O)c2ccc(F)cc2Cl)c2cccs2)CC1
InChIInChI=1S/C19H22ClFN2OS/c1-13-6-8-23(9-7-13)17(18-3-2-10-25-18)12-22-19(24)15-5-4-14(21)11-16(15)20/h2-5,10-11,13,17H,6-9,12H2,1H3,(H,22,24)
InChIKeyXKZIACBTJAQICD-UHFFFAOYSA-N
XLogP4.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 51186577
2-methoxy-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 43006364
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 43006371
2-chloro-N-[1-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-1-oxopropan-2-yl]benzamide
CID 55337540
2,4-dimethoxy-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 43006385
2-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide;dihydrochloride
CID 119946151
2-(difluoromethylsulfanyl)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 30524422
1,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyrrole-2-carboxamide
CID 55527298
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyridine-2-carboxamide
CID 43006358
4-chloro-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-nitrobenzamide
CID 8781620
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-chlorobenzamide
CID 17012442
3-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 119830765

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide (CID 43006400) is 2-chloro-4-fluoro-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide is CC1CCN(C(CNC(=O)c2ccc(F)cc2Cl)c2cccs2)CC1.
What is the InChIKey of 2-chloro-4-fluoro-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide?
The InChIKey is XKZIACBTJAQICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN2OS/c1-13-6-8-23(9-7-13)17(18-3-2-10-25-18)12-22-19(24)15-5-4-14(21)11-16(15)20/h2-5,10-11,13,17H,6-9,12H2,1H3,(H,22,24).
What are the key properties of 2-chloro-4-fluoro-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide?
2-chloro-4-fluoro-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide has a molecular weight of 380.92 g/mol, XLogP of 4.74, 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-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide is sourced from PubChem (CID 43006400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).