N-(1-benzylpiperidin-4-yl)-2-(4-bromo-2-chlorophenoxy)acetamide

C20H22BrClN2O2 — CID 2970596

IUPACN-(1-benzylpiperidin-4-yl)-2-(4-bromo-2-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Br)cc1Cl)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H22BrClN2O2/c21-16-6-7-19(18(22)12-16)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)
InChIKeyLJCGFYKBMOIJGQ-UHFFFAOYSA-N
MW437.77 g/mol
LogP4.26
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-2-(4-bromo-2-chlorophenoxy)acetamide

N-(1-benzylpiperidin-4-yl)-2-(4-bromo-2-chlorophenoxy)acetamide (PubChem CID 2970596) has the molecular formula C20H22BrClN2O2 and a molecular weight of 437.77 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-(4-bromo-2-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-(4-bromo-2-chlorophenoxy)acetamide
PubChem CID2970596
Molecular FormulaC20H22BrClN2O2
Molecular Weight437.77 g/mol
Exact Mass436.06
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-(4-bromo-2-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Br)cc1Cl)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H22BrClN2O2/c21-16-6-7-19(18(22)12-16)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)
InChIKeyLJCGFYKBMOIJGQ-UHFFFAOYSA-N
XLogP4.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.77
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(4-bromo-2-chlorophenoxy)-N-methylacetamide
CID 1312634
2-(2-chlorophenoxy)-N-(1-phenylethyl)acetamide
CID 2787215
N-(1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)piperidin-4-yl)acetamide
CID 44431949
2-(4-bromo-2-chlorophenoxy)-N-cyclohexylacetamide
CID 885937
N-benzyl-3-(4-bromo-2-chlorophenoxy)-1-propanamine oxalate
CID 2935175
N-(1-benzylpiperidin-4-yl)-2-(4-bromo-2-fluorophenoxy)acetamide
CID 4779931
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide
CID 24687293
N-(1-benzylpiperidin-4-yl)-2-(4-bromophenoxy)propanamide
CID 24979309
N-(1-benzylpiperidin-4-yl)-2-(2-chloro-5-methylphenoxy)acetamide
CID 24982334
N-[(3-chlorophenyl)methyl]-2-(3,5-difluorophenoxy)-N-piperidin-4-ylacetamide
CID 44322459
N-benzyl-2-(2-chlorophenoxy)-N-((R)-pyrrolidin-2-ylmethyl)propanamide
CID 44579805
N-benzyl-2-(2-chlorophenoxy)acetamide
CID 707236

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(4-bromo-2-chlorophenoxy)acetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(4-bromo-2-chlorophenoxy)acetamide (CID 2970596) is N-(1-benzylpiperidin-4-yl)-2-(4-bromo-2-chlorophenoxy)acetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-(4-bromo-2-chlorophenoxy)acetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-(4-bromo-2-chlorophenoxy)acetamide is O=C(COc1ccc(Br)cc1Cl)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-(4-bromo-2-chlorophenoxy)acetamide?
The InChIKey is LJCGFYKBMOIJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrClN2O2/c21-16-6-7-19(18(22)12-16)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-(4-bromo-2-chlorophenoxy)acetamide?
N-(1-benzylpiperidin-4-yl)-2-(4-bromo-2-chlorophenoxy)acetamide has a molecular weight of 437.77 g/mol, XLogP of 4.26, 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-(4-bromo-2-chlorophenoxy)acetamide is sourced from PubChem (CID 2970596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).