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

C16H16Br2N2O2 — CID 100828344

IUPACN-(4-amino-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
SMILESCc1cc(N)ccc1NC(=O)COc1c(C)cc(Br)cc1Br
InChIInChI=1S/C16H16Br2N2O2/c1-9-6-12(19)3-4-14(9)20-15(21)8-22-16-10(2)5-11(17)7-13(16)18/h3-7H,8,19H2,1-2H3,(H,20,21)
InChIKeyGWPRUKZKMFWENE-UHFFFAOYSA-N
MW428.12 g/mol
LogP4.43
Rot. Bonds4

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

N-(4-amino-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide (PubChem CID 100828344) has the molecular formula C16H16Br2N2O2 and a molecular weight of 428.12 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
PubChem CID100828344
Molecular FormulaC16H16Br2N2O2
Molecular Weight428.12 g/mol
Exact Mass425.96
IUPAC NameN-(4-amino-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
SMILESCc1cc(N)ccc1NC(=O)COc1c(C)cc(Br)cc1Br
InChIInChI=1S/C16H16Br2N2O2/c1-9-6-12(19)3-4-14(9)20-15(21)8-22-16-10(2)5-11(17)7-13(16)18/h3-7H,8,19H2,1-2H3,(H,20,21)
InChIKeyGWPRUKZKMFWENE-UHFFFAOYSA-N
XLogP4.43
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.12
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3489380
N-(4-amino-2,6-dimethylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 50880984
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
N-(5-amino-2-methylphenyl)-2-(2,6-dibromophenoxy)acetamide
CID 29295025
2-(2,4-dibromo-6-methylphenoxy)-N-(2-propan-2-yloxyphenyl)acetamide
CID 17150905
2-(2,4-dibromo-6-methylphenoxy)-N-(2-piperidin-1-ylphenyl)acetamide
CID 4501880
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-methylphenyl)-2-(4-iodophenoxy)acetamide
CID 43144731
N-[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3508884

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide (CID 100828344) is N-(4-amino-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide is Cc1cc(N)ccc1NC(=O)COc1c(C)cc(Br)cc1Br.
What is the InChIKey of N-(4-amino-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide?
The InChIKey is GWPRUKZKMFWENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2N2O2/c1-9-6-12(19)3-4-14(9)20-15(21)8-22-16-10(2)5-11(17)7-13(16)18/h3-7H,8,19H2,1-2H3,(H,20,21).
What are the key properties of N-(4-amino-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide?
N-(4-amino-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide has a molecular weight of 428.12 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide is sourced from PubChem (CID 100828344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).