2-[2-bromo-4-(hydrazinecarbonyl)phenoxy]-N-(4-methoxyphenyl)acetamide

C16H16BrN3O4 — CID 54793221

IUPAC2-[2-bromo-4-(hydrazinecarbonyl)phenoxy]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)COc2ccc(C(=O)NN)cc2Br)cc1
InChIInChI=1S/C16H16BrN3O4/c1-23-12-5-3-11(4-6-12)19-15(21)9-24-14-7-2-10(8-13(14)17)16(22)20-18/h2-8H,9,18H2,1H3,(H,19,21)(H,20,22)
InChIKeyPKSJVKDAEGSDEQ-UHFFFAOYSA-N
MW394.23 g/mol
LogP2.08
Rot. Bonds6

About 2-[2-bromo-4-(hydrazinecarbonyl)phenoxy]-N-(4-methoxyphenyl)acetamide

2-[2-bromo-4-(hydrazinecarbonyl)phenoxy]-N-(4-methoxyphenyl)acetamide (PubChem CID 54793221) has the molecular formula C16H16BrN3O4 and a molecular weight of 394.23 g/mol. Its IUPAC name is 2-[2-bromo-4-(hydrazinecarbonyl)phenoxy]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-bromo-4-(hydrazinecarbonyl)phenoxy]-N-(4-methoxyphenyl)acetamide
PubChem CID54793221
Molecular FormulaC16H16BrN3O4
Molecular Weight394.23 g/mol
Exact Mass393.03
IUPAC Name2-[2-bromo-4-(hydrazinecarbonyl)phenoxy]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)COc2ccc(C(=O)NN)cc2Br)cc1
InChIInChI=1S/C16H16BrN3O4/c1-23-12-5-3-11(4-6-12)19-15(21)9-24-14-7-2-10(8-13(14)17)16(22)20-18/h2-8H,9,18H2,1H3,(H,19,21)(H,20,22)
InChIKeyPKSJVKDAEGSDEQ-UHFFFAOYSA-N
XLogP2.08
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.23
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

2-(2-bromo-4-methoxyphenoxy)-N-(4-fluorophenyl)acetamide
CID 104704640
2-(2-bromo-4-methoxyphenoxy)acetohydrazide
CID 3936634
N-(3-chloro-4-methoxyphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide
CID 16546266
2-[2-bromo-4-(hydrazinecarbonyl)phenoxy]-N-(2,5-dimethylphenyl)acetamide
CID 54793163
N-(3-aminophenyl)-2-(2-bromo-4-methoxyphenoxy)acetamide
CID 104706751
4-[[2-(4-methoxyphenoxy)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 2710766
3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 16552258
4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-methylbenzamide
CID 8807740
2-(4-bromo-3-methylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 1010190
3-bromo-N'-(4-methoxybenzoyl)-4-(2-methoxyethoxy)benzohydrazide
CID 17356623
N-(5-tert-butyl-2-methoxyphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide
CID 16546421
2-(3,5-dimethoxyphenoxy)-N-(4-methoxyphenyl)acetamide
CID 7707204

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-4-(hydrazinecarbonyl)phenoxy]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[2-bromo-4-(hydrazinecarbonyl)phenoxy]-N-(4-methoxyphenyl)acetamide (CID 54793221) is 2-[2-bromo-4-(hydrazinecarbonyl)phenoxy]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-bromo-4-(hydrazinecarbonyl)phenoxy]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2-bromo-4-(hydrazinecarbonyl)phenoxy]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)COc2ccc(C(=O)NN)cc2Br)cc1.
What is the InChIKey of 2-[2-bromo-4-(hydrazinecarbonyl)phenoxy]-N-(4-methoxyphenyl)acetamide?
The InChIKey is PKSJVKDAEGSDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O4/c1-23-12-5-3-11(4-6-12)19-15(21)9-24-14-7-2-10(8-13(14)17)16(22)20-18/h2-8H,9,18H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 2-[2-bromo-4-(hydrazinecarbonyl)phenoxy]-N-(4-methoxyphenyl)acetamide?
2-[2-bromo-4-(hydrazinecarbonyl)phenoxy]-N-(4-methoxyphenyl)acetamide has a molecular weight of 394.23 g/mol, XLogP of 2.08, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-4-(hydrazinecarbonyl)phenoxy]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 54793221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).