2-(2,6-dibromo-4-formylphenoxy)-N-(2,5-dimethylphenyl)acetamide

C17H15Br2NO3 — CID 126271360

IUPAC2-(2,6-dibromo-4-formylphenoxy)-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)COc2c(Br)cc(C=O)cc2Br)c1
InChIInChI=1S/C17H15Br2NO3/c1-10-3-4-11(2)15(5-10)20-16(22)9-23-17-13(18)6-12(8-21)7-14(17)19/h3-8H,9H2,1-2H3,(H,20,22)
InChIKeyRGTDZAYNBMGKSH-UHFFFAOYSA-N
MW441.12 g/mol
LogP4.66
Rot. Bonds5

About 2-(2,6-dibromo-4-formylphenoxy)-N-(2,5-dimethylphenyl)acetamide

2-(2,6-dibromo-4-formylphenoxy)-N-(2,5-dimethylphenyl)acetamide (PubChem CID 126271360) has the molecular formula C17H15Br2NO3 and a molecular weight of 441.12 g/mol. Its IUPAC name is 2-(2,6-dibromo-4-formylphenoxy)-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,6-dibromo-4-formylphenoxy)-N-(2,5-dimethylphenyl)acetamide
PubChem CID126271360
Molecular FormulaC17H15Br2NO3
Molecular Weight441.12 g/mol
Exact Mass438.94
IUPAC Name2-(2,6-dibromo-4-formylphenoxy)-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)COc2c(Br)cc(C=O)cc2Br)c1
InChIInChI=1S/C17H15Br2NO3/c1-10-3-4-11(2)15(5-10)20-16(22)9-23-17-13(18)6-12(8-21)7-14(17)19/h3-8H,9H2,1-2H3,(H,20,22)
InChIKeyRGTDZAYNBMGKSH-UHFFFAOYSA-N
XLogP4.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.12
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2,6-dibromo-4-[(E)-hydroxyiminomethyl]phenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 126275636
N-(2,5-dimethylphenyl)-2-(4-formyl-2-iodo-6-methoxyphenoxy)acetamide
CID 126259987
2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-(2-methylphenyl)acetamide
CID 1008844
2-(2-bromo-4,6-dimethylphenoxy)-N-(5-chloro-2-methylphenyl)acetamide
CID 5169100
(E)-2-cyano-3-[3,5-dibromo-4-[2-(2,5-dimethylanilino)-2-oxoethoxy]phenyl]-N-(3-methylphenyl)prop-2-enamide
CID 126263660
2-(2,6-dibromo-4-formylphenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 28913545
2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 19578086
N-(2,4-dimethylphenyl)-2-(4-formyl-2,6-dimethoxyphenoxy)acetamide
CID 28913315
N-(2-bromo-4,5-dimethylphenyl)-2-(2-bromo-6-ethoxy-4-formylphenoxy)acetamide
CID 3635185
methyl 4-[[(Z)-2-cyano-3-[3,5-dibromo-4-[2-(2,5-dimethylanilino)-2-oxoethoxy]phenyl]prop-2-enoyl]amino]benzoate
CID 126264814
2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-(4-bromo-2-methylphenyl)acetamide
CID 23935761
2-(3,5-dimethylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 679981

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dibromo-4-formylphenoxy)-N-(2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-(2,6-dibromo-4-formylphenoxy)-N-(2,5-dimethylphenyl)acetamide (CID 126271360) is 2-(2,6-dibromo-4-formylphenoxy)-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(2,6-dibromo-4-formylphenoxy)-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-(2,6-dibromo-4-formylphenoxy)-N-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(NC(=O)COc2c(Br)cc(C=O)cc2Br)c1.
What is the InChIKey of 2-(2,6-dibromo-4-formylphenoxy)-N-(2,5-dimethylphenyl)acetamide?
The InChIKey is RGTDZAYNBMGKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Br2NO3/c1-10-3-4-11(2)15(5-10)20-16(22)9-23-17-13(18)6-12(8-21)7-14(17)19/h3-8H,9H2,1-2H3,(H,20,22).
What are the key properties of 2-(2,6-dibromo-4-formylphenoxy)-N-(2,5-dimethylphenyl)acetamide?
2-(2,6-dibromo-4-formylphenoxy)-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 441.12 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dibromo-4-formylphenoxy)-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 126271360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).