N-(2,6-dibromo-4-methylphenyl)-2-(4-formyl-2-methoxyphenoxy)acetamide

C17H15Br2NO4 — CID 26217987

IUPACN-(2,6-dibromo-4-methylphenyl)-2-(4-formyl-2-methoxyphenoxy)acetamide
SMILESCOc1cc(C=O)ccc1OCC(=O)Nc1c(Br)cc(C)cc1Br
InChIInChI=1S/C17H15Br2NO4/c1-10-5-12(18)17(13(19)6-10)20-16(22)9-24-14-4-3-11(8-21)7-15(14)23-2/h3-8H,9H2,1-2H3,(H,20,22)
InChIKeyMMJQNZJAXONYSJ-UHFFFAOYSA-N
MW457.12 g/mol
LogP4.36
Rot. Bonds6

About N-(2,6-dibromo-4-methylphenyl)-2-(4-formyl-2-methoxyphenoxy)acetamide

N-(2,6-dibromo-4-methylphenyl)-2-(4-formyl-2-methoxyphenoxy)acetamide (PubChem CID 26217987) has the molecular formula C17H15Br2NO4 and a molecular weight of 457.12 g/mol. Its IUPAC name is N-(2,6-dibromo-4-methylphenyl)-2-(4-formyl-2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(2,6-dibromo-4-methylphenyl)-2-(4-formyl-2-methoxyphenoxy)acetamide
PubChem CID26217987
Molecular FormulaC17H15Br2NO4
Molecular Weight457.12 g/mol
Exact Mass454.94
IUPAC NameN-(2,6-dibromo-4-methylphenyl)-2-(4-formyl-2-methoxyphenoxy)acetamide
SMILESCOc1cc(C=O)ccc1OCC(=O)Nc1c(Br)cc(C)cc1Br
InChIInChI=1S/C17H15Br2NO4/c1-10-5-12(18)17(13(19)6-10)20-16(22)9-24-14-4-3-11(8-21)7-15(14)23-2/h3-8H,9H2,1-2H3,(H,20,22)
InChIKeyMMJQNZJAXONYSJ-UHFFFAOYSA-N
XLogP4.36
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.12
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-2,6-dimethylphenyl)-2-(4-formyl-2-methoxyphenoxy)acetamide
CID 17201671
N-(4-bromophenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 7611543
2-(2-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 8010337
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 7695867
N-carbamoyl-2-(4-formyl-2-methoxyphenoxy)acetamide
CID 24694058
2-[4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 6903754
methyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 882523
2-(4-formyl-2-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)acetamide
CID 7894136
2-bromo-N'-[2-(4-formyl-2-methoxyphenoxy)acetyl]benzohydrazide
CID 9340041
2-(2-bromo-4-formylphenoxy)-N-(2-methoxyphenyl)acetamide
CID 3955556
2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 19578086
ethyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 968872

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromo-4-methylphenyl)-2-(4-formyl-2-methoxyphenoxy)acetamide?
The IUPAC name of N-(2,6-dibromo-4-methylphenyl)-2-(4-formyl-2-methoxyphenoxy)acetamide (CID 26217987) is N-(2,6-dibromo-4-methylphenyl)-2-(4-formyl-2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(2,6-dibromo-4-methylphenyl)-2-(4-formyl-2-methoxyphenoxy)acetamide?
The canonical SMILES for N-(2,6-dibromo-4-methylphenyl)-2-(4-formyl-2-methoxyphenoxy)acetamide is COc1cc(C=O)ccc1OCC(=O)Nc1c(Br)cc(C)cc1Br.
What is the InChIKey of N-(2,6-dibromo-4-methylphenyl)-2-(4-formyl-2-methoxyphenoxy)acetamide?
The InChIKey is MMJQNZJAXONYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Br2NO4/c1-10-5-12(18)17(13(19)6-10)20-16(22)9-24-14-4-3-11(8-21)7-15(14)23-2/h3-8H,9H2,1-2H3,(H,20,22).
What are the key properties of N-(2,6-dibromo-4-methylphenyl)-2-(4-formyl-2-methoxyphenoxy)acetamide?
N-(2,6-dibromo-4-methylphenyl)-2-(4-formyl-2-methoxyphenoxy)acetamide has a molecular weight of 457.12 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromo-4-methylphenyl)-2-(4-formyl-2-methoxyphenoxy)acetamide is sourced from PubChem (CID 26217987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).