N-(4-bromo-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide

C16H14Br3NO2 — CID 3489380

IUPACN-(4-bromo-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
SMILESCc1cc(Br)ccc1NC(=O)COc1c(C)cc(Br)cc1Br
InChIInChI=1S/C16H14Br3NO2/c1-9-5-11(17)3-4-14(9)20-15(21)8-22-16-10(2)6-12(18)7-13(16)19/h3-7H,8H2,1-2H3,(H,20,21)
InChIKeyCXDHOJWDBLUUOT-UHFFFAOYSA-N
MW492.01 g/mol
LogP5.61
Rot. Bonds4

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

N-(4-bromo-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide (PubChem CID 3489380) has the molecular formula C16H14Br3NO2 and a molecular weight of 492.01 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
PubChem CID3489380
Molecular FormulaC16H14Br3NO2
Molecular Weight492.01 g/mol
Exact Mass488.86
IUPAC NameN-(4-bromo-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
SMILESCc1cc(Br)ccc1NC(=O)COc1c(C)cc(Br)cc1Br
InChIInChI=1S/C16H14Br3NO2/c1-9-5-11(17)3-4-14(9)20-15(21)8-22-16-10(2)6-12(18)7-13(16)19/h3-7H,8H2,1-2H3,(H,20,21)
InChIKeyCXDHOJWDBLUUOT-UHFFFAOYSA-N
XLogP5.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.01
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-amino-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 100828344
2-(2,4-dibromo-6-methylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 4503873
N-(2-bromophenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3249849
2-(4-bromo-2,6-dimethylphenoxy)-N-[4-[4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide
CID 3343773
2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-(4-bromo-2-methylphenyl)acetamide
CID 23935761
N-(4-bromo-2-methylphenyl)-2-(4-ethoxyphenoxy)acetamide
CID 7613552
2-(2,4-dibromo-6-methylphenoxy)-N-(2-propan-2-yloxyphenyl)acetamide
CID 17150905
4-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzoic acid
CID 28676661
2-(2,4-dibromo-6-methylphenoxy)-N-(2-phenylmethoxyphenyl)acetamide
CID 17093492
N-(4-amino-2,6-dimethylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 50880984
2-(4-bromo-2-methylphenoxy)-N-[4-[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide
CID 5180819
N-(4-chloro-2-methylphenyl)-2-(2,4-dibromophenoxy)acetamide
CID 1189036

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide (CID 3489380) is N-(4-bromo-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide is Cc1cc(Br)ccc1NC(=O)COc1c(C)cc(Br)cc1Br.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide?
The InChIKey is CXDHOJWDBLUUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br3NO2/c1-9-5-11(17)3-4-14(9)20-15(21)8-22-16-10(2)6-12(18)7-13(16)19/h3-7H,8H2,1-2H3,(H,20,21).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide?
N-(4-bromo-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide has a molecular weight of 492.01 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide is sourced from PubChem (CID 3489380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).