5-chloro-N-(5-chloropyrazin-2-yl)-2-nitrobenzamide

C11H6Cl2N4O3 — CID 107595832

IUPAC5-chloro-N-(5-chloropyrazin-2-yl)-2-nitrobenzamide
SMILESO=C(Nc1cnc(Cl)cn1)c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H6Cl2N4O3/c12-6-1-2-8(17(19)20)7(3-6)11(18)16-10-5-14-9(13)4-15-10/h1-5H,(H,15,16,18)
InChIKeyKGXIRILPQKNLGA-UHFFFAOYSA-N
MW313.10 g/mol
LogP2.94
Rot. Bonds3

About 5-chloro-N-(5-chloropyrazin-2-yl)-2-nitrobenzamide

5-chloro-N-(5-chloropyrazin-2-yl)-2-nitrobenzamide (PubChem CID 107595832) has the molecular formula C11H6Cl2N4O3 and a molecular weight of 313.10 g/mol. Its IUPAC name is 5-chloro-N-(5-chloropyrazin-2-yl)-2-nitrobenzamide.

Molecular Properties

Compound Name5-chloro-N-(5-chloropyrazin-2-yl)-2-nitrobenzamide
PubChem CID107595832
Molecular FormulaC11H6Cl2N4O3
Molecular Weight313.10 g/mol
Exact Mass311.98
IUPAC Name5-chloro-N-(5-chloropyrazin-2-yl)-2-nitrobenzamide
SMILESO=C(Nc1cnc(Cl)cn1)c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H6Cl2N4O3/c12-6-1-2-8(17(19)20)7(3-6)11(18)16-10-5-14-9(13)4-15-10/h1-5H,(H,15,16,18)
InChIKeyKGXIRILPQKNLGA-UHFFFAOYSA-N
XLogP2.94
TPSA98.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.10
LogP ≤ 52.94
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-(5-chloropyrazin-2-yl)-5-fluoro-2-nitrobenzamide
CID 107595834
N-(5-chloropyrazin-2-yl)-4-fluoro-2-nitrobenzamide
CID 107595729
N-(5-chloropyrazin-2-yl)-2,5-difluoro-3-nitrobenzamide
CID 107595745
5-chloro-N-(3,5-dichlorophenyl)-2-nitrobenzamide
CID 4556863
5-chloro-2-nitro-N-phenylbenzamide
CID 4135938
N-(5-bromopyrazin-2-yl)-5-hydroxy-2-nitrobenzamide
CID 107076134
5-chloro-N-(4-methyl-1H-pyrazol-5-yl)-2-nitrobenzamide
CID 115629952
5-chloro-N-(3,4-difluorophenyl)-2-nitrobenzamide
CID 3462912
4-chloro-N-(4-chloro-2-pyridinyl)-2-nitrobenzamide
CID 115626712
5-chloro-N-[4-[4-[(5-chloro-2-nitrobenzoyl)amino]phenoxy]phenyl]-2-nitrobenzamide
CID 4605334
5-chloro-N-(2,6-difluoro-3-pyridinyl)-2-nitrobenzamide
CID 103097829
N-(5-chloro-2-pyridinyl)-3-hydroxy-4-nitrobenzamide
CID 103604547

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-chloropyrazin-2-yl)-2-nitrobenzamide?
The IUPAC name of 5-chloro-N-(5-chloropyrazin-2-yl)-2-nitrobenzamide (CID 107595832) is 5-chloro-N-(5-chloropyrazin-2-yl)-2-nitrobenzamide.
What is the SMILES notation for 5-chloro-N-(5-chloropyrazin-2-yl)-2-nitrobenzamide?
The canonical SMILES for 5-chloro-N-(5-chloropyrazin-2-yl)-2-nitrobenzamide is O=C(Nc1cnc(Cl)cn1)c1cc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 5-chloro-N-(5-chloropyrazin-2-yl)-2-nitrobenzamide?
The InChIKey is KGXIRILPQKNLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2N4O3/c12-6-1-2-8(17(19)20)7(3-6)11(18)16-10-5-14-9(13)4-15-10/h1-5H,(H,15,16,18).
What are the key properties of 5-chloro-N-(5-chloropyrazin-2-yl)-2-nitrobenzamide?
5-chloro-N-(5-chloropyrazin-2-yl)-2-nitrobenzamide has a molecular weight of 313.10 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-chloropyrazin-2-yl)-2-nitrobenzamide is sourced from PubChem (CID 107595832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).