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

C13H11ClN4O3 — CID 793936

IUPACN'-[2-(4-chlorophenoxy)acetyl]pyrazine-2-carbohydrazide
SMILESO=C(COc1ccc(Cl)cc1)NNC(=O)c1cnccn1
InChIInChI=1S/C13H11ClN4O3/c14-9-1-3-10(4-2-9)21-8-12(19)17-18-13(20)11-7-15-5-6-16-11/h1-7H,8H2,(H,17,19)(H,18,20)
InChIKeyBJKVWPRATDOGGC-UHFFFAOYSA-N
MW306.71 g/mol
LogP0.97
Rot. Bonds4

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

N'-[2-(4-chlorophenoxy)acetyl]pyrazine-2-carbohydrazide (PubChem CID 793936) has the molecular formula C13H11ClN4O3 and a molecular weight of 306.71 g/mol. Its IUPAC name is N'-[2-(4-chlorophenoxy)acetyl]pyrazine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenoxy)acetyl]pyrazine-2-carbohydrazide
PubChem CID793936
Molecular FormulaC13H11ClN4O3
Molecular Weight306.71 g/mol
Exact Mass306.05
IUPAC NameN'-[2-(4-chlorophenoxy)acetyl]pyrazine-2-carbohydrazide
SMILESO=C(COc1ccc(Cl)cc1)NNC(=O)c1cnccn1
InChIInChI=1S/C13H11ClN4O3/c14-9-1-3-10(4-2-9)21-8-12(19)17-18-13(20)11-7-15-5-6-16-11/h1-7H,8H2,(H,17,19)(H,18,20)
InChIKeyBJKVWPRATDOGGC-UHFFFAOYSA-N
XLogP0.97
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.71
LogP ≤ 50.97
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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Related Compounds

N'-[1-oxo-2-(4-propan-2-ylphenoxy)ethyl]-2-pyrazinecarbohydrazide
CID 934383
N-(3-{[(2-chlorophenoxy)acetyl]amino}propyl)pyrazine-2-carboxamide
CID 6498596
N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-pyrazinecarbohydrazide
CID 7021979
2-(3-methoxyphenoxy)-N'-(2-pyrazinylcarbonyl)acetohydrazide
CID 750783
Pyridine-2-carboxylic acid N'-[2-(4-chloro-phenoxy)-acetyl]-hydrazide
CID 793931
N-(3-{[(2,4-dichlorophenoxy)acetyl]amino}propyl)pyrazine-2-carboxamide
CID 6498608
N-(2-{[(2-chlorophenoxy)acetyl]amino}ethyl)pyrazine-2-carboxamide
CID 6498570
N-(3-{[(4-chlorophenoxy)acetyl]amino}propyl)pyrazine-2-carboxamide
CID 6498597
Pyrazine-2-carboxylic acid {2-[2-(4-chloro-phenoxy)-acetylamino]-ethyl}-amide
CID 6498571
2-(4-chloro-2-methylphenoxy)-N'-(2-pyrazinylcarbonyl)acetohydrazide
CID 751040
N'-[2-(2-methoxyphenoxy)acetyl]pyrazine-2-carbohydrazide
CID 756597
N-[4-[(2R)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-5-(difluoromethyl)pyrazine-2-carboxamide
CID 146458071

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenoxy)acetyl]pyrazine-2-carbohydrazide?
The IUPAC name of N'-[2-(4-chlorophenoxy)acetyl]pyrazine-2-carbohydrazide (CID 793936) is N'-[2-(4-chlorophenoxy)acetyl]pyrazine-2-carbohydrazide.
What is the SMILES notation for N'-[2-(4-chlorophenoxy)acetyl]pyrazine-2-carbohydrazide?
The canonical SMILES for N'-[2-(4-chlorophenoxy)acetyl]pyrazine-2-carbohydrazide is O=C(COc1ccc(Cl)cc1)NNC(=O)c1cnccn1.
What is the InChIKey of N'-[2-(4-chlorophenoxy)acetyl]pyrazine-2-carbohydrazide?
The InChIKey is BJKVWPRATDOGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O3/c14-9-1-3-10(4-2-9)21-8-12(19)17-18-13(20)11-7-15-5-6-16-11/h1-7H,8H2,(H,17,19)(H,18,20).
What are the key properties of N'-[2-(4-chlorophenoxy)acetyl]pyrazine-2-carbohydrazide?
N'-[2-(4-chlorophenoxy)acetyl]pyrazine-2-carbohydrazide has a molecular weight of 306.71 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenoxy)acetyl]pyrazine-2-carbohydrazide is sourced from PubChem (CID 793936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).