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

C16H22ClFN2O2 — CID 16895536

IUPAC2-chloro-6-fluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide
SMILESCOCCN1CCC(CNC(=O)c2c(F)cccc2Cl)CC1
InChIInChI=1S/C16H22ClFN2O2/c1-22-10-9-20-7-5-12(6-8-20)11-19-16(21)15-13(17)3-2-4-14(15)18/h2-4,12H,5-11H2,1H3,(H,19,21)
InChIKeyWVLHDEGIPPQJGD-UHFFFAOYSA-N
MW328.81 g/mol
LogP2.57
Rot. Bonds6

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

2-chloro-6-fluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide (PubChem CID 16895536) has the molecular formula C16H22ClFN2O2 and a molecular weight of 328.81 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide
PubChem CID16895536
Molecular FormulaC16H22ClFN2O2
Molecular Weight328.81 g/mol
Exact Mass328.14
IUPAC Name2-chloro-6-fluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide
SMILESCOCCN1CCC(CNC(=O)c2c(F)cccc2Cl)CC1
InChIInChI=1S/C16H22ClFN2O2/c1-22-10-9-20-7-5-12(6-8-20)11-19-16(21)15-13(17)3-2-4-14(15)18/h2-4,12H,5-11H2,1H3,(H,19,21)
InChIKeyWVLHDEGIPPQJGD-UHFFFAOYSA-N
XLogP2.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.81
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2,6-Dichloro-N-[1-(1-methylethyl)-4-piperidinyl]benzamide
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2-chloro-N-[2-(morpholin-4-yl)ethyl]benzamide
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2-Chloro-N-isobutylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide (CID 16895536) is 2-chloro-6-fluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide is COCCN1CCC(CNC(=O)c2c(F)cccc2Cl)CC1.
What is the InChIKey of 2-chloro-6-fluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide?
The InChIKey is WVLHDEGIPPQJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFN2O2/c1-22-10-9-20-7-5-12(6-8-20)11-19-16(21)15-13(17)3-2-4-14(15)18/h2-4,12H,5-11H2,1H3,(H,19,21).
What are the key properties of 2-chloro-6-fluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide?
2-chloro-6-fluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide has a molecular weight of 328.81 g/mol, XLogP of 2.57, 6 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-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 16895536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).