2-(2,4-dibromo-6-formylphenoxy)-N-(2,3-dimethylphenyl)acetamide

C17H15Br2NO3 — CID 126272908

IUPAC2-(2,4-dibromo-6-formylphenoxy)-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)COc2c(Br)cc(Br)cc2C=O)c1C
InChIInChI=1S/C17H15Br2NO3/c1-10-4-3-5-15(11(10)2)20-16(22)9-23-17-12(8-21)6-13(18)7-14(17)19/h3-8H,9H2,1-2H3,(H,20,22)
InChIKeyRBVFCLDCCWVIGA-UHFFFAOYSA-N
MW441.12 g/mol
LogP4.66
Rot. Bonds5

About 2-(2,4-dibromo-6-formylphenoxy)-N-(2,3-dimethylphenyl)acetamide

2-(2,4-dibromo-6-formylphenoxy)-N-(2,3-dimethylphenyl)acetamide (PubChem CID 126272908) has the molecular formula C17H15Br2NO3 and a molecular weight of 441.12 g/mol. Its IUPAC name is 2-(2,4-dibromo-6-formylphenoxy)-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dibromo-6-formylphenoxy)-N-(2,3-dimethylphenyl)acetamide
PubChem CID126272908
Molecular FormulaC17H15Br2NO3
Molecular Weight441.12 g/mol
Exact Mass438.94
IUPAC Name2-(2,4-dibromo-6-formylphenoxy)-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)COc2c(Br)cc(Br)cc2C=O)c1C
InChIInChI=1S/C17H15Br2NO3/c1-10-4-3-5-15(11(10)2)20-16(22)9-23-17-12(8-21)6-13(18)7-14(17)19/h3-8H,9H2,1-2H3,(H,20,22)
InChIKeyRBVFCLDCCWVIGA-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

N-[(E)-[3,5-dibromo-2-[2-(2,3-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxybenzamide
CID 126267400
2-(2,4-dibromo-6-formylphenoxy)-N-phenylacetamide
CID 4770117
N-(2-bromophenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3249849
2-methyl-3-[[2-(2,4,6-tribromophenoxy)acetyl]amino]benzoate
CID 6959438
N-(4-bromo-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3489380
2-(2-formyl-6-methylphenoxy)-N-(2-methylphenyl)acetamide
CID 115955536
2-[2,4-dibromo-6-[(Z)-[1-(4-nitrophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]-N-(2,3-dimethylphenyl)acetamide
CID 126263670
(E)-2-cyano-3-(3,5-dibromo-2-ethoxyphenyl)-N-(2,3-dimethylphenyl)prop-2-enamide
CID 126056509
2-(4-bromo-2-formyl-6-methoxyphenoxy)-N-(2-chlorophenyl)acetamide
CID 28913362
2-(6-bromoquinazolin-4-yl)oxy-N-(2,3-dimethylphenyl)acetamide
CID 2576960
2-(2,4-dibromo-6-methylphenoxy)-N-(2-propan-2-yloxyphenyl)acetamide
CID 17150905
N-(2,3-dimethylphenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 978026

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromo-6-formylphenoxy)-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-(2,4-dibromo-6-formylphenoxy)-N-(2,3-dimethylphenyl)acetamide (CID 126272908) is 2-(2,4-dibromo-6-formylphenoxy)-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(2,4-dibromo-6-formylphenoxy)-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-(2,4-dibromo-6-formylphenoxy)-N-(2,3-dimethylphenyl)acetamide is Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2C=O)c1C.
What is the InChIKey of 2-(2,4-dibromo-6-formylphenoxy)-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is RBVFCLDCCWVIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Br2NO3/c1-10-4-3-5-15(11(10)2)20-16(22)9-23-17-12(8-21)6-13(18)7-14(17)19/h3-8H,9H2,1-2H3,(H,20,22).
What are the key properties of 2-(2,4-dibromo-6-formylphenoxy)-N-(2,3-dimethylphenyl)acetamide?
2-(2,4-dibromo-6-formylphenoxy)-N-(2,3-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-(2,4-dibromo-6-formylphenoxy)-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 126272908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).