3-chloro-N-(2-chloro-4-methyl-3-pyridinyl)-4-nitrobenzamide

C13H9Cl2N3O3 — CID 82776473

IUPAC3-chloro-N-(2-chloro-4-methyl-3-pyridinyl)-4-nitrobenzamide
SMILESCc1ccnc(Cl)c1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C13H9Cl2N3O3/c1-7-4-5-16-12(15)11(7)17-13(19)8-2-3-10(18(20)21)9(14)6-8/h2-6H,1H3,(H,17,19)
InChIKeyQJHZZJODJWFIRE-UHFFFAOYSA-N
MW326.14 g/mol
LogP3.86
Rot. Bonds3

About 3-chloro-N-(2-chloro-4-methyl-3-pyridinyl)-4-nitrobenzamide

3-chloro-N-(2-chloro-4-methyl-3-pyridinyl)-4-nitrobenzamide (PubChem CID 82776473) has the molecular formula C13H9Cl2N3O3 and a molecular weight of 326.14 g/mol. Its IUPAC name is 3-chloro-N-(2-chloro-4-methyl-3-pyridinyl)-4-nitrobenzamide.

Molecular Properties

Compound Name3-chloro-N-(2-chloro-4-methyl-3-pyridinyl)-4-nitrobenzamide
PubChem CID82776473
Molecular FormulaC13H9Cl2N3O3
Molecular Weight326.14 g/mol
Exact Mass325.00
IUPAC Name3-chloro-N-(2-chloro-4-methyl-3-pyridinyl)-4-nitrobenzamide
SMILESCc1ccnc(Cl)c1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C13H9Cl2N3O3/c1-7-4-5-16-12(15)11(7)17-13(19)8-2-3-10(18(20)21)9(14)6-8/h2-6H,1H3,(H,17,19)
InChIKeyQJHZZJODJWFIRE-UHFFFAOYSA-N
XLogP3.86
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.14
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(2-chloro-4-methyl-3-pyridinyl)-3-nitrobenzamide
CID 65490473
N-(2-chloro-4-methyl-3-pyridinyl)-4-fluoro-3-nitrobenzamide
CID 65489283
3-chloro-N-(2-chloro-3-pyridinyl)-4-nitrobenzamide
CID 821596
3-chloro-N-(2-methyl-6-propan-2-ylphenyl)-4-nitrobenzamide
CID 840735
3-chloro-N-(2,6-difluorophenyl)-4-nitrobenzamide
CID 82775247
3-chloro-4-nitro-N-pyrazin-2-ylbenzamide
CID 82781781
3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-4-fluorobenzamide
CID 114020013
4-amino-3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzamide
CID 65490876
3-chloro-N-(6-methyl-2-pyridinyl)-4-nitrobenzamide
CID 82780242
4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-3-methoxybenzamide
CID 104783024
4-(chloromethyl)-N-(2-chloro-4-methyl-3-pyridinyl)benzamide
CID 65489874
N-(2-chloro-6-methylphenyl)-4-methyl-3-nitrobenzamide
CID 711319

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-chloro-4-methyl-3-pyridinyl)-4-nitrobenzamide?
The IUPAC name of 3-chloro-N-(2-chloro-4-methyl-3-pyridinyl)-4-nitrobenzamide (CID 82776473) is 3-chloro-N-(2-chloro-4-methyl-3-pyridinyl)-4-nitrobenzamide.
What is the SMILES notation for 3-chloro-N-(2-chloro-4-methyl-3-pyridinyl)-4-nitrobenzamide?
The canonical SMILES for 3-chloro-N-(2-chloro-4-methyl-3-pyridinyl)-4-nitrobenzamide is Cc1ccnc(Cl)c1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1.
What is the InChIKey of 3-chloro-N-(2-chloro-4-methyl-3-pyridinyl)-4-nitrobenzamide?
The InChIKey is QJHZZJODJWFIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3O3/c1-7-4-5-16-12(15)11(7)17-13(19)8-2-3-10(18(20)21)9(14)6-8/h2-6H,1H3,(H,17,19).
What are the key properties of 3-chloro-N-(2-chloro-4-methyl-3-pyridinyl)-4-nitrobenzamide?
3-chloro-N-(2-chloro-4-methyl-3-pyridinyl)-4-nitrobenzamide has a molecular weight of 326.14 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-chloro-4-methyl-3-pyridinyl)-4-nitrobenzamide is sourced from PubChem (CID 82776473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).