N'-[2-(2-bromo-4-ethylphenoxy)acetyl]pyrazine-2-carbohydrazide

C15H15BrN4O3 — CID 2958821

IUPACN'-[2-(2-bromo-4-ethylphenoxy)acetyl]pyrazine-2-carbohydrazide
SMILESCCc1ccc(OCC(=O)NNC(=O)c2cnccn2)c(Br)c1
InChIInChI=1S/C15H15BrN4O3/c1-2-10-3-4-13(11(16)7-10)23-9-14(21)19-20-15(22)12-8-17-5-6-18-12/h3-8H,2,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyJKRBEAJFHYFROT-UHFFFAOYSA-N
MW379.21 g/mol
LogP1.64
Rot. Bonds5

About N'-[2-(2-bromo-4-ethylphenoxy)acetyl]pyrazine-2-carbohydrazide

N'-[2-(2-bromo-4-ethylphenoxy)acetyl]pyrazine-2-carbohydrazide (PubChem CID 2958821) has the molecular formula C15H15BrN4O3 and a molecular weight of 379.21 g/mol. Its IUPAC name is N'-[2-(2-bromo-4-ethylphenoxy)acetyl]pyrazine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-bromo-4-ethylphenoxy)acetyl]pyrazine-2-carbohydrazide
PubChem CID2958821
Molecular FormulaC15H15BrN4O3
Molecular Weight379.21 g/mol
Exact Mass378.03
IUPAC NameN'-[2-(2-bromo-4-ethylphenoxy)acetyl]pyrazine-2-carbohydrazide
SMILESCCc1ccc(OCC(=O)NNC(=O)c2cnccn2)c(Br)c1
InChIInChI=1S/C15H15BrN4O3/c1-2-10-3-4-13(11(16)7-10)23-9-14(21)19-20-15(22)12-8-17-5-6-18-12/h3-8H,2,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyJKRBEAJFHYFROT-UHFFFAOYSA-N
XLogP1.64
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.21
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-bromo-4-ethylphenoxy)acetyl]pyrazine-2-carbohydrazide?
The IUPAC name of N'-[2-(2-bromo-4-ethylphenoxy)acetyl]pyrazine-2-carbohydrazide (CID 2958821) is N'-[2-(2-bromo-4-ethylphenoxy)acetyl]pyrazine-2-carbohydrazide.
What is the SMILES notation for N'-[2-(2-bromo-4-ethylphenoxy)acetyl]pyrazine-2-carbohydrazide?
The canonical SMILES for N'-[2-(2-bromo-4-ethylphenoxy)acetyl]pyrazine-2-carbohydrazide is CCc1ccc(OCC(=O)NNC(=O)c2cnccn2)c(Br)c1.
What is the InChIKey of N'-[2-(2-bromo-4-ethylphenoxy)acetyl]pyrazine-2-carbohydrazide?
The InChIKey is JKRBEAJFHYFROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4O3/c1-2-10-3-4-13(11(16)7-10)23-9-14(21)19-20-15(22)12-8-17-5-6-18-12/h3-8H,2,9H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-[2-(2-bromo-4-ethylphenoxy)acetyl]pyrazine-2-carbohydrazide?
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]pyrazine-2-carbohydrazide has a molecular weight of 379.21 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-bromo-4-ethylphenoxy)acetyl]pyrazine-2-carbohydrazide is sourced from PubChem (CID 2958821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).