2-(2,4-dibromo-6-methylphenoxy)-N-(2-piperidin-1-ylphenyl)acetamide

C20H22Br2N2O2 — CID 4501880

IUPAC2-(2,4-dibromo-6-methylphenoxy)-N-(2-piperidin-1-ylphenyl)acetamide
SMILESCc1cc(Br)cc(Br)c1OCC(=O)Nc1ccccc1N1CCCCC1
InChIInChI=1S/C20H22Br2N2O2/c1-14-11-15(21)12-16(22)20(14)26-13-19(25)23-17-7-3-4-8-18(17)24-9-5-2-6-10-24/h3-4,7-8,11-12H,2,5-6,9-10,13H2,1H3,(H,23,25)
InChIKeyYDCYMEJVDGGMNY-UHFFFAOYSA-N
MW482.22 g/mol
LogP5.53
Rot. Bonds5

About 2-(2,4-dibromo-6-methylphenoxy)-N-(2-piperidin-1-ylphenyl)acetamide

2-(2,4-dibromo-6-methylphenoxy)-N-(2-piperidin-1-ylphenyl)acetamide (PubChem CID 4501880) has the molecular formula C20H22Br2N2O2 and a molecular weight of 482.22 g/mol. Its IUPAC name is 2-(2,4-dibromo-6-methylphenoxy)-N-(2-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dibromo-6-methylphenoxy)-N-(2-piperidin-1-ylphenyl)acetamide
PubChem CID4501880
Molecular FormulaC20H22Br2N2O2
Molecular Weight482.22 g/mol
Exact Mass480.00
IUPAC Name2-(2,4-dibromo-6-methylphenoxy)-N-(2-piperidin-1-ylphenyl)acetamide
SMILESCc1cc(Br)cc(Br)c1OCC(=O)Nc1ccccc1N1CCCCC1
InChIInChI=1S/C20H22Br2N2O2/c1-14-11-15(21)12-16(22)20(14)26-13-19(25)23-17-7-3-4-8-18(17)24-9-5-2-6-10-24/h3-4,7-8,11-12H,2,5-6,9-10,13H2,1H3,(H,23,25)
InChIKeyYDCYMEJVDGGMNY-UHFFFAOYSA-N
XLogP5.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.22
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3249849
N-(4-bromo-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3489380
2-(2,4-dibromo-6-methylphenoxy)-N-(2-propan-2-yloxyphenyl)acetamide
CID 17150905
N-(azepane-1-carbothioyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3362720
2-(4-bromo-2,6-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)acetamide
CID 19175451
N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 43914678
2-(2,4-dibromo-6-methylphenoxy)-N-(2-phenylmethoxyphenyl)acetamide
CID 17093492
N-(4-amino-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 100828344
2-naphthalen-2-yloxy-N-(2-piperidin-1-ylphenyl)acetamide
CID 2006723
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 4504142
N-butan-2-yl-2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide
CID 17151209
N-[2-(azepan-1-yl)phenyl]-2-(4-formylphenoxy)acetamide
CID 78878320

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromo-6-methylphenoxy)-N-(2-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(2,4-dibromo-6-methylphenoxy)-N-(2-piperidin-1-ylphenyl)acetamide (CID 4501880) is 2-(2,4-dibromo-6-methylphenoxy)-N-(2-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(2,4-dibromo-6-methylphenoxy)-N-(2-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(2,4-dibromo-6-methylphenoxy)-N-(2-piperidin-1-ylphenyl)acetamide is Cc1cc(Br)cc(Br)c1OCC(=O)Nc1ccccc1N1CCCCC1.
What is the InChIKey of 2-(2,4-dibromo-6-methylphenoxy)-N-(2-piperidin-1-ylphenyl)acetamide?
The InChIKey is YDCYMEJVDGGMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Br2N2O2/c1-14-11-15(21)12-16(22)20(14)26-13-19(25)23-17-7-3-4-8-18(17)24-9-5-2-6-10-24/h3-4,7-8,11-12H,2,5-6,9-10,13H2,1H3,(H,23,25).
What are the key properties of 2-(2,4-dibromo-6-methylphenoxy)-N-(2-piperidin-1-ylphenyl)acetamide?
2-(2,4-dibromo-6-methylphenoxy)-N-(2-piperidin-1-ylphenyl)acetamide has a molecular weight of 482.22 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromo-6-methylphenoxy)-N-(2-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 4501880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).