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

C15H12Br3NO2 — CID 3249849

IUPACN-(2-bromophenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
SMILESCc1cc(Br)cc(Br)c1OCC(=O)Nc1ccccc1Br
InChIInChI=1S/C15H12Br3NO2/c1-9-6-10(16)7-12(18)15(9)21-8-14(20)19-13-5-3-2-4-11(13)17/h2-7H,8H2,1H3,(H,19,20)
InChIKeyUMDMTQDVKRXRST-UHFFFAOYSA-N
MW477.98 g/mol
LogP5.30
Rot. Bonds4

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

N-(2-bromophenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide (PubChem CID 3249849) has the molecular formula C15H12Br3NO2 and a molecular weight of 477.98 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
PubChem CID3249849
Molecular FormulaC15H12Br3NO2
Molecular Weight477.98 g/mol
Exact Mass474.84
IUPAC NameN-(2-bromophenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
SMILESCc1cc(Br)cc(Br)c1OCC(=O)Nc1ccccc1Br
InChIInChI=1S/C15H12Br3NO2/c1-9-6-10(16)7-12(18)15(9)21-8-14(20)19-13-5-3-2-4-11(13)17/h2-7H,8H2,1H3,(H,19,20)
InChIKeyUMDMTQDVKRXRST-UHFFFAOYSA-N
XLogP5.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.98
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
2-(2,4-dibromo-6-methylphenoxy)-N-(2-phenylmethoxyphenyl)acetamide
CID 17093492
2-(2,4-dibromo-6-methylphenoxy)-N-(2-piperidin-1-ylphenyl)acetamide
CID 4501880
N-(4-amino-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 100828344
N-(4-anilinophenyl)-2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide
CID 4942018
N-butan-2-yl-2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide
CID 17151209
N-benzyl-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 4504132
2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 17186649
2-(2,4-dibromo-6-methylphenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide
CID 3357985
N-[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3508884
2-(2,4-dibromo-6-formylphenoxy)-N-(2,3-dimethylphenyl)acetamide
CID 126272908

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide?
The IUPAC name of N-(2-bromophenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide (CID 3249849) is N-(2-bromophenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide is Cc1cc(Br)cc(Br)c1OCC(=O)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide?
The InChIKey is UMDMTQDVKRXRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br3NO2/c1-9-6-10(16)7-12(18)15(9)21-8-14(20)19-13-5-3-2-4-11(13)17/h2-7H,8H2,1H3,(H,19,20).
What are the key properties of N-(2-bromophenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide?
N-(2-bromophenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide has a molecular weight of 477.98 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide is sourced from PubChem (CID 3249849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).