N'-[2-(2,4-dichlorophenoxy)propanoyl]pyrazine-2-carbohydrazide

C14H12Cl2N4O3 — CID 3120244

IUPACN'-[2-(2,4-dichlorophenoxy)propanoyl]pyrazine-2-carbohydrazide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1cnccn1
InChIInChI=1S/C14H12Cl2N4O3/c1-8(23-12-3-2-9(15)6-10(12)16)13(21)19-20-14(22)11-7-17-4-5-18-11/h2-8H,1H3,(H,19,21)(H,20,22)
InChIKeyQFGVYPROYFCQJG-UHFFFAOYSA-N
MW355.18 g/mol
LogP2.01
Rot. Bonds4

About N'-[2-(2,4-dichlorophenoxy)propanoyl]pyrazine-2-carbohydrazide

N'-[2-(2,4-dichlorophenoxy)propanoyl]pyrazine-2-carbohydrazide (PubChem CID 3120244) has the molecular formula C14H12Cl2N4O3 and a molecular weight of 355.18 g/mol. Its IUPAC name is N'-[2-(2,4-dichlorophenoxy)propanoyl]pyrazine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2,4-dichlorophenoxy)propanoyl]pyrazine-2-carbohydrazide
PubChem CID3120244
Molecular FormulaC14H12Cl2N4O3
Molecular Weight355.18 g/mol
Exact Mass354.03
IUPAC NameN'-[2-(2,4-dichlorophenoxy)propanoyl]pyrazine-2-carbohydrazide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1cnccn1
InChIInChI=1S/C14H12Cl2N4O3/c1-8(23-12-3-2-9(15)6-10(12)16)13(21)19-20-14(22)11-7-17-4-5-18-11/h2-8H,1H3,(H,19,21)(H,20,22)
InChIKeyQFGVYPROYFCQJG-UHFFFAOYSA-N
XLogP2.01
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 52.01
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-(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
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
Methyl 6-[(2,4-dichlorophenoxy)methyl]-2-pyrazinecarboxylate
CID 155153755
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-[3-[[2-(4-chlorophenoxy)acetyl]amino]but-3-enyl]-5-(difluoromethyl)pyrazine-2-carboxamide
CID 155264451
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]pyrazine-2-carboxamide
CID 155264456

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4-dichlorophenoxy)propanoyl]pyrazine-2-carbohydrazide?
The IUPAC name of N'-[2-(2,4-dichlorophenoxy)propanoyl]pyrazine-2-carbohydrazide (CID 3120244) is N'-[2-(2,4-dichlorophenoxy)propanoyl]pyrazine-2-carbohydrazide.
What is the SMILES notation for N'-[2-(2,4-dichlorophenoxy)propanoyl]pyrazine-2-carbohydrazide?
The canonical SMILES for N'-[2-(2,4-dichlorophenoxy)propanoyl]pyrazine-2-carbohydrazide is CC(Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1cnccn1.
What is the InChIKey of N'-[2-(2,4-dichlorophenoxy)propanoyl]pyrazine-2-carbohydrazide?
The InChIKey is QFGVYPROYFCQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N4O3/c1-8(23-12-3-2-9(15)6-10(12)16)13(21)19-20-14(22)11-7-17-4-5-18-11/h2-8H,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-[2-(2,4-dichlorophenoxy)propanoyl]pyrazine-2-carbohydrazide?
N'-[2-(2,4-dichlorophenoxy)propanoyl]pyrazine-2-carbohydrazide has a molecular weight of 355.18 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,4-dichlorophenoxy)propanoyl]pyrazine-2-carbohydrazide is sourced from PubChem (CID 3120244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).