N-(6-chloropyrazin-2-yl)-2-methyl-4-nitrobenzamide

C12H9ClN4O3 — CID 104820032

IUPACN-(6-chloropyrazin-2-yl)-2-methyl-4-nitrobenzamide
SMILESCc1cc([N+](=O)[O-])ccc1C(=O)Nc1cncc(Cl)n1
InChIInChI=1S/C12H9ClN4O3/c1-7-4-8(17(19)20)2-3-9(7)12(18)16-11-6-14-5-10(13)15-11/h2-6H,1H3,(H,15,16,18)
InChIKeyUZNBLFLHKWBJAU-UHFFFAOYSA-N
MW292.68 g/mol
LogP2.60
Rot. Bonds3

About N-(6-chloropyrazin-2-yl)-2-methyl-4-nitrobenzamide

N-(6-chloropyrazin-2-yl)-2-methyl-4-nitrobenzamide (PubChem CID 104820032) has the molecular formula C12H9ClN4O3 and a molecular weight of 292.68 g/mol. Its IUPAC name is N-(6-chloropyrazin-2-yl)-2-methyl-4-nitrobenzamide.

Molecular Properties

Compound NameN-(6-chloropyrazin-2-yl)-2-methyl-4-nitrobenzamide
PubChem CID104820032
Molecular FormulaC12H9ClN4O3
Molecular Weight292.68 g/mol
Exact Mass292.04
IUPAC NameN-(6-chloropyrazin-2-yl)-2-methyl-4-nitrobenzamide
SMILESCc1cc([N+](=O)[O-])ccc1C(=O)Nc1cncc(Cl)n1
InChIInChI=1S/C12H9ClN4O3/c1-7-4-8(17(19)20)2-3-9(7)12(18)16-11-6-14-5-10(13)15-11/h2-6H,1H3,(H,15,16,18)
InChIKeyUZNBLFLHKWBJAU-UHFFFAOYSA-N
XLogP2.60
TPSA98.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.68
LogP ≤ 52.60
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

3-[(2-methyl-4-nitrobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64528072
N-(6-chloropyrazin-2-yl)-2,5-difluoro-3-nitrobenzamide
CID 107123861
N-(5-bromo-4-methyl-2-pyridinyl)-2-chloro-4-nitrobenzamide
CID 79735970
N-(6-chloropyrazin-2-yl)-2-fluoro-5-methylbenzamide
CID 104819957
N-(4-chloro-2-pyridinyl)-2-methyl-5-nitrobenzamide
CID 115627296
6-chloro-N-(2-methoxy-5-nitrophenyl)pyrazine-2-carboxamide
CID 107260793
2-chloro-6-(2-methyl-5-nitrophenyl)pyrazine
CID 168929606
2-chloro-N-(4-methyl-2-pyridinyl)-4-nitrobenzamide
CID 4234801
N-(4-cyano-1-methylpyrazol-5-yl)-2-methyl-4-nitrobenzamide
CID 79497143
1-(2-methyl-4-nitrophenyl)ethanone
CID 13043891
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methyl-4-nitrobenzamide
CID 60619782
N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-methyl-4-nitrobenzamide
CID 59756614

Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyrazin-2-yl)-2-methyl-4-nitrobenzamide?
The IUPAC name of N-(6-chloropyrazin-2-yl)-2-methyl-4-nitrobenzamide (CID 104820032) is N-(6-chloropyrazin-2-yl)-2-methyl-4-nitrobenzamide.
What is the SMILES notation for N-(6-chloropyrazin-2-yl)-2-methyl-4-nitrobenzamide?
The canonical SMILES for N-(6-chloropyrazin-2-yl)-2-methyl-4-nitrobenzamide is Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cncc(Cl)n1.
What is the InChIKey of N-(6-chloropyrazin-2-yl)-2-methyl-4-nitrobenzamide?
The InChIKey is UZNBLFLHKWBJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O3/c1-7-4-8(17(19)20)2-3-9(7)12(18)16-11-6-14-5-10(13)15-11/h2-6H,1H3,(H,15,16,18).
What are the key properties of N-(6-chloropyrazin-2-yl)-2-methyl-4-nitrobenzamide?
N-(6-chloropyrazin-2-yl)-2-methyl-4-nitrobenzamide has a molecular weight of 292.68 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyrazin-2-yl)-2-methyl-4-nitrobenzamide is sourced from PubChem (CID 104820032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).