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

C20H22ClFN2O2 — CID 55979355

IUPAC2-chloro-6-fluoro-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzamide
SMILESCOc1ccccc1CN1CCC(NC(=O)c2c(F)cccc2Cl)CC1
InChIInChI=1S/C20H22ClFN2O2/c1-26-18-8-3-2-5-14(18)13-24-11-9-15(10-12-24)23-20(25)19-16(21)6-4-7-17(19)22/h2-8,15H,9-13H2,1H3,(H,23,25)
InChIKeyISUYKMMROPHICT-UHFFFAOYSA-N
MW376.86 g/mol
LogP3.88
Rot. Bonds5

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

2-chloro-6-fluoro-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzamide (PubChem CID 55979355) has the molecular formula C20H22ClFN2O2 and a molecular weight of 376.86 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzamide
PubChem CID55979355
Molecular FormulaC20H22ClFN2O2
Molecular Weight376.86 g/mol
Exact Mass376.14
IUPAC Name2-chloro-6-fluoro-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzamide
SMILESCOc1ccccc1CN1CCC(NC(=O)c2c(F)cccc2Cl)CC1
InChIInChI=1S/C20H22ClFN2O2/c1-26-18-8-3-2-5-14(18)13-24-11-9-15(10-12-24)23-20(25)19-16(21)6-4-7-17(19)22/h2-8,15H,9-13H2,1H3,(H,23,25)
InChIKeyISUYKMMROPHICT-UHFFFAOYSA-N
XLogP3.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.86
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-fluoro-N-[1-(2-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108558620
2-(3,4-dichlorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]acetamide
CID 52719023
4-chloro-1-[(2-methoxyphenyl)methyl]piperidine
CID 63389508
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2-methoxyphenyl)acetamide
CID 18121021
N-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-3,4-dimethoxybenzamide
CID 2810689
5-(4-chlorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 55951354
N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 108538805
4-chloro-1-[(2-fluoro-3-methoxyphenyl)methyl]piperidine
CID 104794846
2-chloro-6-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 42266795
3,4,5-trimethoxy-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-nitrobenzamide
CID 55951861
N-(1-benzylpiperidin-4-yl)-2-methoxy-6-nitrobenzamide
CID 21102223
2-methoxy-N-[1-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55979600

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzamide (CID 55979355) is 2-chloro-6-fluoro-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzamide is COc1ccccc1CN1CCC(NC(=O)c2c(F)cccc2Cl)CC1.
What is the InChIKey of 2-chloro-6-fluoro-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzamide?
The InChIKey is ISUYKMMROPHICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O2/c1-26-18-8-3-2-5-14(18)13-24-11-9-15(10-12-24)23-20(25)19-16(21)6-4-7-17(19)22/h2-8,15H,9-13H2,1H3,(H,23,25).
What are the key properties of 2-chloro-6-fluoro-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzamide?
2-chloro-6-fluoro-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzamide has a molecular weight of 376.86 g/mol, XLogP of 3.88, 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-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 55979355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).