N-(4-bromo-2-methoxyphenyl)-2-hydrazinyl-2-oxoacetamide

C9H10BrN3O3 — CID 19845044

IUPACN-(4-bromo-2-methoxyphenyl)-2-hydrazinyl-2-oxoacetamide
SMILESCOc1cc(Br)ccc1NC(=O)C(=O)NN
InChIInChI=1S/C9H10BrN3O3/c1-16-7-4-5(10)2-3-6(7)12-8(14)9(15)13-11/h2-4H,11H2,1H3,(H,12,14)(H,13,15)
InChIKeyFJCYEOITBGLDGC-UHFFFAOYSA-N
MW288.10 g/mol
LogP0.39
Rot. Bonds2

About N-(4-bromo-2-methoxyphenyl)-2-hydrazinyl-2-oxoacetamide

N-(4-bromo-2-methoxyphenyl)-2-hydrazinyl-2-oxoacetamide (PubChem CID 19845044) has the molecular formula C9H10BrN3O3 and a molecular weight of 288.10 g/mol. Its IUPAC name is N-(4-bromo-2-methoxyphenyl)-2-hydrazinyl-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methoxyphenyl)-2-hydrazinyl-2-oxoacetamide
PubChem CID19845044
Molecular FormulaC9H10BrN3O3
Molecular Weight288.10 g/mol
Exact Mass286.99
IUPAC NameN-(4-bromo-2-methoxyphenyl)-2-hydrazinyl-2-oxoacetamide
SMILESCOc1cc(Br)ccc1NC(=O)C(=O)NN
InChIInChI=1S/C9H10BrN3O3/c1-16-7-4-5(10)2-3-6(7)12-8(14)9(15)13-11/h2-4H,11H2,1H3,(H,12,14)(H,13,15)
InChIKeyFJCYEOITBGLDGC-UHFFFAOYSA-N
XLogP0.39
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.10
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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N-(4-chloro-3-methoxyphenyl)-2-hydrazinyl-2-oxoacetamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methoxyphenyl)-2-hydrazinyl-2-oxoacetamide?
The IUPAC name of N-(4-bromo-2-methoxyphenyl)-2-hydrazinyl-2-oxoacetamide (CID 19845044) is N-(4-bromo-2-methoxyphenyl)-2-hydrazinyl-2-oxoacetamide.
What is the SMILES notation for N-(4-bromo-2-methoxyphenyl)-2-hydrazinyl-2-oxoacetamide?
The canonical SMILES for N-(4-bromo-2-methoxyphenyl)-2-hydrazinyl-2-oxoacetamide is COc1cc(Br)ccc1NC(=O)C(=O)NN.
What is the InChIKey of N-(4-bromo-2-methoxyphenyl)-2-hydrazinyl-2-oxoacetamide?
The InChIKey is FJCYEOITBGLDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O3/c1-16-7-4-5(10)2-3-6(7)12-8(14)9(15)13-11/h2-4H,11H2,1H3,(H,12,14)(H,13,15).
What are the key properties of N-(4-bromo-2-methoxyphenyl)-2-hydrazinyl-2-oxoacetamide?
N-(4-bromo-2-methoxyphenyl)-2-hydrazinyl-2-oxoacetamide has a molecular weight of 288.10 g/mol, XLogP of 0.39, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methoxyphenyl)-2-hydrazinyl-2-oxoacetamide is sourced from PubChem (CID 19845044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).