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

C16H15Br2NO2 — CID 4504132

IUPACN-benzyl-2-(2,4-dibromo-6-methylphenoxy)acetamide
SMILESCc1cc(Br)cc(Br)c1OCC(=O)NCc1ccccc1
InChIInChI=1S/C16H15Br2NO2/c1-11-7-13(17)8-14(18)16(11)21-10-15(20)19-9-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,19,20)
InChIKeyYWZVAXUJTMHNGT-UHFFFAOYSA-N
MW413.11 g/mol
LogP4.22
Rot. Bonds5

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

N-benzyl-2-(2,4-dibromo-6-methylphenoxy)acetamide (PubChem CID 4504132) has the molecular formula C16H15Br2NO2 and a molecular weight of 413.11 g/mol. Its IUPAC name is N-benzyl-2-(2,4-dibromo-6-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(2,4-dibromo-6-methylphenoxy)acetamide
PubChem CID4504132
Molecular FormulaC16H15Br2NO2
Molecular Weight413.11 g/mol
Exact Mass410.95
IUPAC NameN-benzyl-2-(2,4-dibromo-6-methylphenoxy)acetamide
SMILESCc1cc(Br)cc(Br)c1OCC(=O)NCc1ccccc1
InChIInChI=1S/C16H15Br2NO2/c1-11-7-13(17)8-14(18)16(11)21-10-15(20)19-9-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,19,20)
InChIKeyYWZVAXUJTMHNGT-UHFFFAOYSA-N
XLogP4.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.11
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-4-[2-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]hydrazinyl]-4-oxobutanamide
CID 2215513
N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-phenylacetohydrazide
CID 3341673
N-(2-bromophenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3249849
2-(2,4-dibromo-6-methylphenoxy)-N-(2-phenylmethoxyphenyl)acetamide
CID 17093492
2-(2,4-dibromo-6-methylphenoxy)-N-(1-phenylpropyl)acetamide
CID 43911505
N-benzyl-N-[2-[benzyl-[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]ethyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 4504840
N-(4-bromo-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3489380
4-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzoic acid
CID 28676661
2-(2,4-dibromo-6-methylphenoxy)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 17123513
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(pyridin-3-ylmethyl)acetamide
CID 17401622
2-(2,4-dibromo-6-methylphenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide
CID 3357985
2-(2,4-dibromo-6-methylphenoxy)-N-[ethyl(phenyl)carbamothioyl]acetamide
CID 3326021

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2,4-dibromo-6-methylphenoxy)acetamide?
The IUPAC name of N-benzyl-2-(2,4-dibromo-6-methylphenoxy)acetamide (CID 4504132) is N-benzyl-2-(2,4-dibromo-6-methylphenoxy)acetamide.
What is the SMILES notation for N-benzyl-2-(2,4-dibromo-6-methylphenoxy)acetamide?
The canonical SMILES for N-benzyl-2-(2,4-dibromo-6-methylphenoxy)acetamide is Cc1cc(Br)cc(Br)c1OCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(2,4-dibromo-6-methylphenoxy)acetamide?
The InChIKey is YWZVAXUJTMHNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2NO2/c1-11-7-13(17)8-14(18)16(11)21-10-15(20)19-9-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,19,20).
What are the key properties of N-benzyl-2-(2,4-dibromo-6-methylphenoxy)acetamide?
N-benzyl-2-(2,4-dibromo-6-methylphenoxy)acetamide has a molecular weight of 413.11 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2,4-dibromo-6-methylphenoxy)acetamide is sourced from PubChem (CID 4504132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).