2-(2,4-dibromo-6-methylphenoxy)-N-(2-phenylmethoxyphenyl)acetamide

C22H19Br2NO3 — CID 17093492

IUPAC2-(2,4-dibromo-6-methylphenoxy)-N-(2-phenylmethoxyphenyl)acetamide
SMILESCc1cc(Br)cc(Br)c1OCC(=O)Nc1ccccc1OCc1ccccc1
InChIInChI=1S/C22H19Br2NO3/c1-15-11-17(23)12-18(24)22(15)28-14-21(26)25-19-9-5-6-10-20(19)27-13-16-7-3-2-4-8-16/h2-12H,13-14H2,1H3,(H,25,26)
InChIKeyPMAINQILNXIYPI-UHFFFAOYSA-N
MW505.21 g/mol
LogP6.12
Rot. Bonds7

About 2-(2,4-dibromo-6-methylphenoxy)-N-(2-phenylmethoxyphenyl)acetamide

2-(2,4-dibromo-6-methylphenoxy)-N-(2-phenylmethoxyphenyl)acetamide (PubChem CID 17093492) has the molecular formula C22H19Br2NO3 and a molecular weight of 505.21 g/mol. Its IUPAC name is 2-(2,4-dibromo-6-methylphenoxy)-N-(2-phenylmethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dibromo-6-methylphenoxy)-N-(2-phenylmethoxyphenyl)acetamide
PubChem CID17093492
Molecular FormulaC22H19Br2NO3
Molecular Weight505.21 g/mol
Exact Mass502.97
IUPAC Name2-(2,4-dibromo-6-methylphenoxy)-N-(2-phenylmethoxyphenyl)acetamide
SMILESCc1cc(Br)cc(Br)c1OCC(=O)Nc1ccccc1OCc1ccccc1
InChIInChI=1S/C22H19Br2NO3/c1-15-11-17(23)12-18(24)22(15)28-14-21(26)25-19-9-5-6-10-20(19)27-13-16-7-3-2-4-8-16/h2-12H,13-14H2,1H3,(H,25,26)
InChIKeyPMAINQILNXIYPI-UHFFFAOYSA-N
XLogP6.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.21
LogP ≤ 56.12
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
2-(2,4-dibromo-6-methylphenoxy)-N-(2-propan-2-yloxyphenyl)acetamide
CID 17150905
2-(4-bromo-2,6-dimethylphenoxy)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 17131419
N-benzyl-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 4504132
2-(2,4-dibromo-6-methylphenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 17170194
N-(4-bromo-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3489380
2-(3,4-dimethylphenoxy)-N-(2-phenylmethoxyphenyl)acetamide
CID 17093514
N-(4-anilinophenyl)-2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide
CID 4942018
2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 17186649
N-butan-2-yl-2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide
CID 17151209
N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-phenylacetohydrazide
CID 3341673
2-(2,4-dibromo-6-methylphenoxy)-N-(2-piperidin-1-ylphenyl)acetamide
CID 4501880

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromo-6-methylphenoxy)-N-(2-phenylmethoxyphenyl)acetamide?
The IUPAC name of 2-(2,4-dibromo-6-methylphenoxy)-N-(2-phenylmethoxyphenyl)acetamide (CID 17093492) is 2-(2,4-dibromo-6-methylphenoxy)-N-(2-phenylmethoxyphenyl)acetamide.
What is the SMILES notation for 2-(2,4-dibromo-6-methylphenoxy)-N-(2-phenylmethoxyphenyl)acetamide?
The canonical SMILES for 2-(2,4-dibromo-6-methylphenoxy)-N-(2-phenylmethoxyphenyl)acetamide is Cc1cc(Br)cc(Br)c1OCC(=O)Nc1ccccc1OCc1ccccc1.
What is the InChIKey of 2-(2,4-dibromo-6-methylphenoxy)-N-(2-phenylmethoxyphenyl)acetamide?
The InChIKey is PMAINQILNXIYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Br2NO3/c1-15-11-17(23)12-18(24)22(15)28-14-21(26)25-19-9-5-6-10-20(19)27-13-16-7-3-2-4-8-16/h2-12H,13-14H2,1H3,(H,25,26).
What are the key properties of 2-(2,4-dibromo-6-methylphenoxy)-N-(2-phenylmethoxyphenyl)acetamide?
2-(2,4-dibromo-6-methylphenoxy)-N-(2-phenylmethoxyphenyl)acetamide has a molecular weight of 505.21 g/mol, XLogP of 6.12, 7 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-phenylmethoxyphenyl)acetamide is sourced from PubChem (CID 17093492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).