N-(1-benzylpiperidin-4-yl)-2-(2-chloro-4-fluorophenoxy)acetamide

C20H22ClFN2O2 — CID 17250306

IUPACN-(1-benzylpiperidin-4-yl)-2-(2-chloro-4-fluorophenoxy)acetamide
SMILESO=C(COc1ccc(F)cc1Cl)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H22ClFN2O2/c21-18-12-16(22)6-7-19(18)26-14-20(25)23-17-8-10-24(11-9-17)13-15-4-2-1-3-5-15/h1-7,12,17H,8-11,13-14H2,(H,23,25)
InChIKeyXINAWDRDMDPUBL-UHFFFAOYSA-N
MW376.86 g/mol
LogP3.64
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-2-(2-chloro-4-fluorophenoxy)acetamide

N-(1-benzylpiperidin-4-yl)-2-(2-chloro-4-fluorophenoxy)acetamide (PubChem CID 17250306) has the molecular formula C20H22ClFN2O2 and a molecular weight of 376.86 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-(2-chloro-4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-(2-chloro-4-fluorophenoxy)acetamide
PubChem CID17250306
Molecular FormulaC20H22ClFN2O2
Molecular Weight376.86 g/mol
Exact Mass376.14
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-(2-chloro-4-fluorophenoxy)acetamide
SMILESO=C(COc1ccc(F)cc1Cl)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H22ClFN2O2/c21-18-12-16(22)6-7-19(18)26-14-20(25)23-17-8-10-24(11-9-17)13-15-4-2-1-3-5-15/h1-7,12,17H,8-11,13-14H2,(H,23,25)
InChIKeyXINAWDRDMDPUBL-UHFFFAOYSA-N
XLogP3.64
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.86
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 55847982
N-(1-benzylpyrrolidin-3-yl)-2-(2-chlorophenoxy)acetamide
CID 18156311
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2-fluorophenoxy)acetamide
CID 8590108
N-(1-benzylpiperidin-4-yl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 29291844
2-(2-benzylphenoxy)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetamide
CID 55949666
2-(2-bromo-4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetamide
CID 24504200
2-(2,5-dichlorophenoxy)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetamide
CID 60550321
N-(1-benzylpiperidin-4-yl)-2-methoxyacetamide
CID 836236
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide
CID 71702291
N-[(3S)-1-benzylpyrrolidin-3-yl]-2-(2-phenylphenoxy)acetamide
CID 41095172
N-(1-benzylpiperidin-4-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 46488361
N-(1-benzylpiperidin-4-yl)-3-(3-fluorophenoxy)propanamide
CID 51113416

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(2-chloro-4-fluorophenoxy)acetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(2-chloro-4-fluorophenoxy)acetamide (CID 17250306) is N-(1-benzylpiperidin-4-yl)-2-(2-chloro-4-fluorophenoxy)acetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-(2-chloro-4-fluorophenoxy)acetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-(2-chloro-4-fluorophenoxy)acetamide is O=C(COc1ccc(F)cc1Cl)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-(2-chloro-4-fluorophenoxy)acetamide?
The InChIKey is XINAWDRDMDPUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O2/c21-18-12-16(22)6-7-19(18)26-14-20(25)23-17-8-10-24(11-9-17)13-15-4-2-1-3-5-15/h1-7,12,17H,8-11,13-14H2,(H,23,25).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-(2-chloro-4-fluorophenoxy)acetamide?
N-(1-benzylpiperidin-4-yl)-2-(2-chloro-4-fluorophenoxy)acetamide has a molecular weight of 376.86 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-(2-chloro-4-fluorophenoxy)acetamide is sourced from PubChem (CID 17250306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).