N-(3-chloropyrazin-2-yl)-2-(3-nitrophenyl)acetamide

C12H9ClN4O3 — CID 102989201

IUPACN-(3-chloropyrazin-2-yl)-2-(3-nitrophenyl)acetamide
SMILESO=C(Cc1cccc([N+](=O)[O-])c1)Nc1nccnc1Cl
InChIInChI=1S/C12H9ClN4O3/c13-11-12(15-5-4-14-11)16-10(18)7-8-2-1-3-9(6-8)17(19)20/h1-6H,7H2,(H,15,16,18)
InChIKeyOZTUVFOCJHCXPJ-UHFFFAOYSA-N
MW292.68 g/mol
LogP2.22
Rot. Bonds4

About N-(3-chloropyrazin-2-yl)-2-(3-nitrophenyl)acetamide

N-(3-chloropyrazin-2-yl)-2-(3-nitrophenyl)acetamide (PubChem CID 102989201) has the molecular formula C12H9ClN4O3 and a molecular weight of 292.68 g/mol. Its IUPAC name is N-(3-chloropyrazin-2-yl)-2-(3-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(3-chloropyrazin-2-yl)-2-(3-nitrophenyl)acetamide
PubChem CID102989201
Molecular FormulaC12H9ClN4O3
Molecular Weight292.68 g/mol
Exact Mass292.04
IUPAC NameN-(3-chloropyrazin-2-yl)-2-(3-nitrophenyl)acetamide
SMILESO=C(Cc1cccc([N+](=O)[O-])c1)Nc1nccnc1Cl
InChIInChI=1S/C12H9ClN4O3/c13-11-12(15-5-4-14-11)16-10(18)7-8-2-1-3-9(6-8)17(19)20/h1-6H,7H2,(H,15,16,18)
InChIKeyOZTUVFOCJHCXPJ-UHFFFAOYSA-N
XLogP2.22
TPSA98.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.68
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-imidazol-2-yl)-2-(3-nitrophenyl)acetamide
CID 112695684
2-(3-nitrophenyl)-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide
CID 75422980
sodium 2-(3-nitrophenyl)acetate
CID 20571503
N-(2,5-dimethyl-4-pyridinyl)-2-(3-nitrophenyl)acetamide
CID 71912285
N-(3-chloropyrazin-2-yl)-2-fluoro-4-nitrobenzamide
CID 102989137
N-(2-chloro-3-pyridinyl)-2-(4-nitrophenyl)acetamide
CID 5216204
N-(2-amino-2-methylpropyl)-2-(3-nitrophenyl)acetamide;hydrochloride
CID 119628240
N-(4-chloro-2-pyridinyl)-2-(4-nitrophenyl)acetamide
CID 115577532
N-(2-amino-5-fluorophenyl)-2-(3-nitrophenyl)acetamide
CID 115736626
2-(3-nitrophenyl)-N-prop-2-ynylacetamide
CID 115649182
N-[2-(ethylamino)ethyl]-2-(3-nitrophenyl)acetamide;hydrochloride
CID 119507081
N-(6-methoxy-2-methyl-3-pyridinyl)-2-(3-nitrophenyl)acetamide
CID 71919211

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropyrazin-2-yl)-2-(3-nitrophenyl)acetamide?
The IUPAC name of N-(3-chloropyrazin-2-yl)-2-(3-nitrophenyl)acetamide (CID 102989201) is N-(3-chloropyrazin-2-yl)-2-(3-nitrophenyl)acetamide.
What is the SMILES notation for N-(3-chloropyrazin-2-yl)-2-(3-nitrophenyl)acetamide?
The canonical SMILES for N-(3-chloropyrazin-2-yl)-2-(3-nitrophenyl)acetamide is O=C(Cc1cccc([N+](=O)[O-])c1)Nc1nccnc1Cl.
What is the InChIKey of N-(3-chloropyrazin-2-yl)-2-(3-nitrophenyl)acetamide?
The InChIKey is OZTUVFOCJHCXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O3/c13-11-12(15-5-4-14-11)16-10(18)7-8-2-1-3-9(6-8)17(19)20/h1-6H,7H2,(H,15,16,18).
What are the key properties of N-(3-chloropyrazin-2-yl)-2-(3-nitrophenyl)acetamide?
N-(3-chloropyrazin-2-yl)-2-(3-nitrophenyl)acetamide has a molecular weight of 292.68 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropyrazin-2-yl)-2-(3-nitrophenyl)acetamide is sourced from PubChem (CID 102989201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).