2-[2-bromo-4-(hydrazinecarbonyl)phenoxy]-N-(2,5-dimethylphenyl)acetamide

C17H18BrN3O3 — CID 54793163

IUPAC2-[2-bromo-4-(hydrazinecarbonyl)phenoxy]-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)COc2ccc(C(=O)NN)cc2Br)c1
InChIInChI=1S/C17H18BrN3O3/c1-10-3-4-11(2)14(7-10)20-16(22)9-24-15-6-5-12(8-13(15)18)17(23)21-19/h3-8H,9,19H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyNUAXOHNHZHECDB-UHFFFAOYSA-N
MW392.25 g/mol
LogP2.69
Rot. Bonds5

About 2-[2-bromo-4-(hydrazinecarbonyl)phenoxy]-N-(2,5-dimethylphenyl)acetamide

2-[2-bromo-4-(hydrazinecarbonyl)phenoxy]-N-(2,5-dimethylphenyl)acetamide (PubChem CID 54793163) has the molecular formula C17H18BrN3O3 and a molecular weight of 392.25 g/mol. Its IUPAC name is 2-[2-bromo-4-(hydrazinecarbonyl)phenoxy]-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-bromo-4-(hydrazinecarbonyl)phenoxy]-N-(2,5-dimethylphenyl)acetamide
PubChem CID54793163
Molecular FormulaC17H18BrN3O3
Molecular Weight392.25 g/mol
Exact Mass391.05
IUPAC Name2-[2-bromo-4-(hydrazinecarbonyl)phenoxy]-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)COc2ccc(C(=O)NN)cc2Br)c1
InChIInChI=1S/C17H18BrN3O3/c1-10-3-4-11(2)14(7-10)20-16(22)9-24-15-6-5-12(8-13(15)18)17(23)21-19/h3-8H,9,19H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyNUAXOHNHZHECDB-UHFFFAOYSA-N
XLogP2.69
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.25
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dimethylphenyl)-2-[4-(hydrazinecarbonyl)phenoxy]acetamide
CID 54793156
3-bromo-N-(2,5-dimethylphenyl)-4-propoxybenzamide
CID 17342692
2-[2-bromo-4-(hydrazinecarbonyl)phenoxy]-N-(4-methoxyphenyl)acetamide
CID 54793221
3-bromo-4-[(2-bromo-4-methylphenoxy)methyl]benzohydrazide
CID 102774379
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-ethyl-4-methylbenzamide
CID 87001573
methyl 3-bromo-4-[2-(2-methylanilino)-2-oxoethoxy]benzoate
CID 36531543
2-(2,3-dimethylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 720593
2-(2-bromo-4-methylphenoxy)-N-(2-hydroxy-4-methylphenyl)acetamide
CID 9370222
3-bromo-N-(2,5-dimethylphenyl)-4-propan-2-yloxybenzamide
CID 17355192
2-(2,6-dibromo-4-formylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 126271360
2-(2-bromo-4-methylphenoxy)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]acetohydrazide
CID 5089524
3-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-4-methylbenzoic acid
CID 45429183

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-4-(hydrazinecarbonyl)phenoxy]-N-(2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[2-bromo-4-(hydrazinecarbonyl)phenoxy]-N-(2,5-dimethylphenyl)acetamide (CID 54793163) is 2-[2-bromo-4-(hydrazinecarbonyl)phenoxy]-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[2-bromo-4-(hydrazinecarbonyl)phenoxy]-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[2-bromo-4-(hydrazinecarbonyl)phenoxy]-N-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(NC(=O)COc2ccc(C(=O)NN)cc2Br)c1.
What is the InChIKey of 2-[2-bromo-4-(hydrazinecarbonyl)phenoxy]-N-(2,5-dimethylphenyl)acetamide?
The InChIKey is NUAXOHNHZHECDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O3/c1-10-3-4-11(2)14(7-10)20-16(22)9-24-15-6-5-12(8-13(15)18)17(23)21-19/h3-8H,9,19H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 2-[2-bromo-4-(hydrazinecarbonyl)phenoxy]-N-(2,5-dimethylphenyl)acetamide?
2-[2-bromo-4-(hydrazinecarbonyl)phenoxy]-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 392.25 g/mol, XLogP of 2.69, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-4-(hydrazinecarbonyl)phenoxy]-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 54793163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).