2-[2,6-dibromo-4-[(E)-hydroxyiminomethyl]phenoxy]-N-(2,4-dimethylphenyl)acetamide

C17H16Br2N2O3 — CID 126275636

IUPAC2-[2,6-dibromo-4-[(E)-hydroxyiminomethyl]phenoxy]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2c(Br)cc(/C=N/O)cc2Br)c(C)c1
InChIInChI=1S/C17H16Br2N2O3/c1-10-3-4-15(11(2)5-10)21-16(22)9-24-17-13(18)6-12(8-20-23)7-14(17)19/h3-8,23H,9H2,1-2H3,(H,21,22)/b20-8+
InChIKeyJROYKCXOAMGMKM-DNTJNYDQSA-N
MW456.13 g/mol
LogP4.65
Rot. Bonds5

About 2-[2,6-dibromo-4-[(E)-hydroxyiminomethyl]phenoxy]-N-(2,4-dimethylphenyl)acetamide

2-[2,6-dibromo-4-[(E)-hydroxyiminomethyl]phenoxy]-N-(2,4-dimethylphenyl)acetamide (PubChem CID 126275636) has the molecular formula C17H16Br2N2O3 and a molecular weight of 456.13 g/mol. Its IUPAC name is 2-[2,6-dibromo-4-[(E)-hydroxyiminomethyl]phenoxy]-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2,6-dibromo-4-[(E)-hydroxyiminomethyl]phenoxy]-N-(2,4-dimethylphenyl)acetamide
PubChem CID126275636
Molecular FormulaC17H16Br2N2O3
Molecular Weight456.13 g/mol
Exact Mass453.95
IUPAC Name2-[2,6-dibromo-4-[(E)-hydroxyiminomethyl]phenoxy]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2c(Br)cc(/C=N/O)cc2Br)c(C)c1
InChIInChI=1S/C17H16Br2N2O3/c1-10-3-4-15(11(2)5-10)21-16(22)9-24-17-13(18)6-12(8-20-23)7-14(17)19/h3-8,23H,9H2,1-2H3,(H,21,22)/b20-8+
InChIKeyJROYKCXOAMGMKM-DNTJNYDQSA-N
XLogP4.65
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.13
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,6-dibromo-4-formylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 126271360
2-[2-bromo-4-(hydroxyiminomethyl)-6-methoxyphenoxy]-N-(2-methylphenyl)acetamide
CID 57365555
2-[2-bromo-4-[(Z)-hydroxyiminomethyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 40596478
2-[2-bromo-4-(hydroxyiminomethyl)-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 57365553
methyl 2-[2-bromo-4-[[[3-(2,4-dimethylanilino)-3-oxopropanoyl]hydrazinylidene]methyl]-6-ethoxyphenoxy]acetate
CID 5233149
(Z)-2-cyano-3-[3,5-dibromo-4-[2-(2,4-dimethylanilino)-2-oxoethoxy]phenyl]-N-(2,3-dimethylphenyl)prop-2-enamide
CID 126262403
2-(4-bromophenoxy)-N-(2,4-dimethylphenyl)acetamide
CID 874144
N-(2,4-dimethylphenyl)-2-(4-formyl-2,6-dimethoxyphenoxy)acetamide
CID 28913315
N-(4-bromo-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3489380
N-[(E)-[3,5-dibromo-4-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-4-methylbenzamide
CID 126269617
2-[2,6-dibromo-4-[(4-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126215354
2-[2,6-dibromo-4-[(2,4-dimethylanilino)methyl]phenoxy]-N-phenylacetamide
CID 126257423

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dibromo-4-[(E)-hydroxyiminomethyl]phenoxy]-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[2,6-dibromo-4-[(E)-hydroxyiminomethyl]phenoxy]-N-(2,4-dimethylphenyl)acetamide (CID 126275636) is 2-[2,6-dibromo-4-[(E)-hydroxyiminomethyl]phenoxy]-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[2,6-dibromo-4-[(E)-hydroxyiminomethyl]phenoxy]-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[2,6-dibromo-4-[(E)-hydroxyiminomethyl]phenoxy]-N-(2,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)COc2c(Br)cc(/C=N/O)cc2Br)c(C)c1.
What is the InChIKey of 2-[2,6-dibromo-4-[(E)-hydroxyiminomethyl]phenoxy]-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is JROYKCXOAMGMKM-DNTJNYDQSA-N. The full InChI is InChI=1S/C17H16Br2N2O3/c1-10-3-4-15(11(2)5-10)21-16(22)9-24-17-13(18)6-12(8-20-23)7-14(17)19/h3-8,23H,9H2,1-2H3,(H,21,22)/b20-8+.
What are the key properties of 2-[2,6-dibromo-4-[(E)-hydroxyiminomethyl]phenoxy]-N-(2,4-dimethylphenyl)acetamide?
2-[2,6-dibromo-4-[(E)-hydroxyiminomethyl]phenoxy]-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 456.13 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dibromo-4-[(E)-hydroxyiminomethyl]phenoxy]-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 126275636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).