2-(2-bromo-4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetamide

C20H21BrCl2N2O2 — CID 24504200

IUPAC2-(2-bromo-4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Br)NC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H21BrCl2N2O2/c21-18-11-16(23)5-6-19(18)27-13-20(26)24-17-7-9-25(10-8-17)12-14-1-3-15(22)4-2-14/h1-6,11,17H,7-10,12-13H2,(H,24,26)
InChIKeyQKWBFIHNECTNRY-UHFFFAOYSA-N
MW472.21 g/mol
LogP4.92
Rot. Bonds6

About 2-(2-bromo-4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetamide

2-(2-bromo-4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetamide (PubChem CID 24504200) has the molecular formula C20H21BrCl2N2O2 and a molecular weight of 472.21 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetamide
PubChem CID24504200
Molecular FormulaC20H21BrCl2N2O2
Molecular Weight472.21 g/mol
Exact Mass470.02
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Br)NC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H21BrCl2N2O2/c21-18-11-16(23)5-6-19(18)27-13-20(26)24-17-7-9-25(10-8-17)12-14-1-3-15(22)4-2-14/h1-6,11,17H,7-10,12-13H2,(H,24,26)
InChIKeyQKWBFIHNECTNRY-UHFFFAOYSA-N
XLogP4.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.21
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dichlorophenoxy)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetamide
CID 60550321
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2-fluorophenoxy)acetamide
CID 8590108
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(3,4-dichlorophenoxy)acetamide
CID 46596758
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 55847982
N-(1-benzylpiperidin-4-yl)-2-(2-chloro-4-fluorophenoxy)acetamide
CID 17250306
[2-(cycloheptylamino)-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate
CID 3970402
[2-(cyclohexylamino)-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate
CID 4516239
2-(2-bromo-4-chlorophenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 3939341
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-pyrimidin-2-yloxyacetamide
CID 22396240
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(4-hydroxyphenyl)acetamide
CID 78822391
2-[2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxoethoxy]-5-chlorobenzamide
CID 24598910
2-(2,4-dichlorophenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 55566141

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetamide (CID 24504200) is 2-(2-bromo-4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetamide is O=C(COc1ccc(Cl)cc1Br)NC1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetamide?
The InChIKey is QKWBFIHNECTNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrCl2N2O2/c21-18-11-16(23)5-6-19(18)27-13-20(26)24-17-7-9-25(10-8-17)12-14-1-3-15(22)4-2-14/h1-6,11,17H,7-10,12-13H2,(H,24,26).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetamide?
2-(2-bromo-4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetamide has a molecular weight of 472.21 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 24504200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).