2-(2,4-dibromo-6-methylphenoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide

C19H19Br2NO3 — CID 17097631

IUPAC2-(2,4-dibromo-6-methylphenoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide
SMILESC=C(C)COc1ccc(NC(=O)COc2c(C)cc(Br)cc2Br)cc1
InChIInChI=1S/C19H19Br2NO3/c1-12(2)10-24-16-6-4-15(5-7-16)22-18(23)11-25-19-13(3)8-14(20)9-17(19)21/h4-9H,1,10-11H2,2-3H3,(H,22,23)
InChIKeyOTECDKNBPFLTPG-UHFFFAOYSA-N
MW469.17 g/mol
LogP5.49
Rot. Bonds7

About 2-(2,4-dibromo-6-methylphenoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide

2-(2,4-dibromo-6-methylphenoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide (PubChem CID 17097631) has the molecular formula C19H19Br2NO3 and a molecular weight of 469.17 g/mol. Its IUPAC name is 2-(2,4-dibromo-6-methylphenoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dibromo-6-methylphenoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide
PubChem CID17097631
Molecular FormulaC19H19Br2NO3
Molecular Weight469.17 g/mol
Exact Mass466.97
IUPAC Name2-(2,4-dibromo-6-methylphenoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide
SMILESC=C(C)COc1ccc(NC(=O)COc2c(C)cc(Br)cc2Br)cc1
InChIInChI=1S/C19H19Br2NO3/c1-12(2)10-24-16-6-4-15(5-7-16)22-18(23)11-25-19-13(3)8-14(20)9-17(19)21/h4-9H,1,10-11H2,2-3H3,(H,22,23)
InChIKeyOTECDKNBPFLTPG-UHFFFAOYSA-N
XLogP5.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.17
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide
CID 17097648
4-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzoic acid
CID 28676661
1,5-dibromo-3-methyl-2-(2-methylprop-2-enoxy)benzene
CID 15454074
2-(4-bromo-2,6-dimethylphenoxy)-N-(4-pentoxyphenyl)acetamide
CID 19175449
2-(2,4-dibromo-6-methylphenoxy)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 17123513
N-(3-butoxyphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 17095038
N-(4-bromo-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3489380
N-(2-bromophenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3249849
N-(4-acetamidophenyl)-2-(4-bromophenoxy)acetamide
CID 1097313
N-(3-bromo-4-methylphenyl)-2-(4-bromophenoxy)acetamide
CID 112977351
N-[3-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 17204542
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 4504142

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromo-6-methylphenoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide?
The IUPAC name of 2-(2,4-dibromo-6-methylphenoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide (CID 17097631) is 2-(2,4-dibromo-6-methylphenoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide.
What is the SMILES notation for 2-(2,4-dibromo-6-methylphenoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide?
The canonical SMILES for 2-(2,4-dibromo-6-methylphenoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide is C=C(C)COc1ccc(NC(=O)COc2c(C)cc(Br)cc2Br)cc1.
What is the InChIKey of 2-(2,4-dibromo-6-methylphenoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide?
The InChIKey is OTECDKNBPFLTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Br2NO3/c1-12(2)10-24-16-6-4-15(5-7-16)22-18(23)11-25-19-13(3)8-14(20)9-17(19)21/h4-9H,1,10-11H2,2-3H3,(H,22,23).
What are the key properties of 2-(2,4-dibromo-6-methylphenoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide?
2-(2,4-dibromo-6-methylphenoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide has a molecular weight of 469.17 g/mol, XLogP of 5.49, 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-[4-(2-methylprop-2-enoxy)phenyl]acetamide is sourced from PubChem (CID 17097631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).