N-(3-chloropyrazin-2-yl)-5-methyl-2-nitrobenzamide

C12H9ClN4O3 — CID 102989237

IUPACN-(3-chloropyrazin-2-yl)-5-methyl-2-nitrobenzamide
SMILESCc1ccc([N+](=O)[O-])c(C(=O)Nc2nccnc2Cl)c1
InChIInChI=1S/C12H9ClN4O3/c1-7-2-3-9(17(19)20)8(6-7)12(18)16-11-10(13)14-4-5-15-11/h2-6H,1H3,(H,15,16,18)
InChIKeyQCNOZPCBBAZKOX-UHFFFAOYSA-N
MW292.68 g/mol
LogP2.60
Rot. Bonds3

About N-(3-chloropyrazin-2-yl)-5-methyl-2-nitrobenzamide

N-(3-chloropyrazin-2-yl)-5-methyl-2-nitrobenzamide (PubChem CID 102989237) has the molecular formula C12H9ClN4O3 and a molecular weight of 292.68 g/mol. Its IUPAC name is N-(3-chloropyrazin-2-yl)-5-methyl-2-nitrobenzamide.

Molecular Properties

Compound NameN-(3-chloropyrazin-2-yl)-5-methyl-2-nitrobenzamide
PubChem CID102989237
Molecular FormulaC12H9ClN4O3
Molecular Weight292.68 g/mol
Exact Mass292.04
IUPAC NameN-(3-chloropyrazin-2-yl)-5-methyl-2-nitrobenzamide
SMILESCc1ccc([N+](=O)[O-])c(C(=O)Nc2nccnc2Cl)c1
InChIInChI=1S/C12H9ClN4O3/c1-7-2-3-9(17(19)20)8(6-7)12(18)16-11-10(13)14-4-5-15-11/h2-6H,1H3,(H,15,16,18)
InChIKeyQCNOZPCBBAZKOX-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

N-(3-chloro-2-pyridinyl)-5-methyl-2-nitrobenzamide
CID 103943486
2-bromo-N-(3-chloropyrazin-2-yl)-5-methylbenzamide
CID 102989369
2-bromo-N-(3-chloropyrazin-2-yl)-4-methylbenzamide
CID 102989362
N-(3-chloropyrazin-2-yl)-3-methoxy-4-nitrobenzamide
CID 102989249
N-(1H-imidazol-2-yl)-5-methyl-2-nitrobenzamide
CID 65461031
N-(4-chloro-2-nitrophenyl)-5-methyl-2-nitrobenzamide
CID 134120931
N-(6-chloro-3-nitro-2-pyridinyl)-2,5-dimethylbenzamide
CID 104820207
N-(3-chloropyrazin-2-yl)-2-fluoro-4-nitrobenzamide
CID 102989137
5-chloro-N-(3-chloropyrazin-2-yl)-2-methylbenzamide
CID 102989278
N-(4-cyano-1-propan-2-ylpyrazol-3-yl)-5-methyl-2-nitrobenzamide
CID 71853025
2-chloro-N-(3-methyl-4-nitrophenyl)pyridine-3-carboxamide
CID 60722571
4-chloro-N-(4-methyl-2-nitrophenyl)pyridine-3-carboxamide
CID 81227319

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropyrazin-2-yl)-5-methyl-2-nitrobenzamide?
The IUPAC name of N-(3-chloropyrazin-2-yl)-5-methyl-2-nitrobenzamide (CID 102989237) is N-(3-chloropyrazin-2-yl)-5-methyl-2-nitrobenzamide.
What is the SMILES notation for N-(3-chloropyrazin-2-yl)-5-methyl-2-nitrobenzamide?
The canonical SMILES for N-(3-chloropyrazin-2-yl)-5-methyl-2-nitrobenzamide is Cc1ccc([N+](=O)[O-])c(C(=O)Nc2nccnc2Cl)c1.
What is the InChIKey of N-(3-chloropyrazin-2-yl)-5-methyl-2-nitrobenzamide?
The InChIKey is QCNOZPCBBAZKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O3/c1-7-2-3-9(17(19)20)8(6-7)12(18)16-11-10(13)14-4-5-15-11/h2-6H,1H3,(H,15,16,18).
What are the key properties of N-(3-chloropyrazin-2-yl)-5-methyl-2-nitrobenzamide?
N-(3-chloropyrazin-2-yl)-5-methyl-2-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-(3-chloropyrazin-2-yl)-5-methyl-2-nitrobenzamide is sourced from PubChem (CID 102989237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).