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

C13H9Cl2N3O3 — CID 65490473

IUPAC4-chloro-N-(2-chloro-4-methyl-3-pyridinyl)-3-nitrobenzamide
SMILESCc1ccnc(Cl)c1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C13H9Cl2N3O3/c1-7-4-5-16-12(15)11(7)17-13(19)8-2-3-9(14)10(6-8)18(20)21/h2-6H,1H3,(H,17,19)
InChIKeyZCYMKWMTGZINKN-UHFFFAOYSA-N
MW326.14 g/mol
LogP3.86
Rot. Bonds3

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

4-chloro-N-(2-chloro-4-methyl-3-pyridinyl)-3-nitrobenzamide (PubChem CID 65490473) has the molecular formula C13H9Cl2N3O3 and a molecular weight of 326.14 g/mol. Its IUPAC name is 4-chloro-N-(2-chloro-4-methyl-3-pyridinyl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-chloro-N-(2-chloro-4-methyl-3-pyridinyl)-3-nitrobenzamide
PubChem CID65490473
Molecular FormulaC13H9Cl2N3O3
Molecular Weight326.14 g/mol
Exact Mass325.00
IUPAC Name4-chloro-N-(2-chloro-4-methyl-3-pyridinyl)-3-nitrobenzamide
SMILESCc1ccnc(Cl)c1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C13H9Cl2N3O3/c1-7-4-5-16-12(15)11(7)17-13(19)8-2-3-9(14)10(6-8)18(20)21/h2-6H,1H3,(H,17,19)
InChIKeyZCYMKWMTGZINKN-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

3-chloro-N-(2-chloro-4-methyl-3-pyridinyl)-4-nitrobenzamide
CID 82776473
N-(2-chloro-4-methyl-3-pyridinyl)-4-fluoro-3-nitrobenzamide
CID 65489283
4-chloro-3-nitro-N-pyrimidin-2-ylbenzamide
CID 3113449
4-chloro-N-[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3385281
N-(2-chloro-6-methylphenyl)-4-methyl-3-nitrobenzamide
CID 711319
4-chloro-N-(2-chloro-5-methylphenyl)-3-nitrobenzamide
CID 102504215
4-amino-3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzamide
CID 65490876
2-amino-N-(4-chloro-3-nitrophenyl)pyridine-4-carboxamide
CID 107812124
4-chloro-N-(4,6-dimethyl-2-pyridinyl)-3-nitrobenzamide
CID 3565218
4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-3-methoxybenzamide
CID 104783024
4-chloro-N-(2-methyl-5-sulfamoylphenyl)-3-nitrobenzamide
CID 4547924
4-(chloromethyl)-N-(2-chloro-4-methyl-3-pyridinyl)benzamide
CID 65489874

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-chloro-4-methyl-3-pyridinyl)-3-nitrobenzamide?
The IUPAC name of 4-chloro-N-(2-chloro-4-methyl-3-pyridinyl)-3-nitrobenzamide (CID 65490473) is 4-chloro-N-(2-chloro-4-methyl-3-pyridinyl)-3-nitrobenzamide.
What is the SMILES notation for 4-chloro-N-(2-chloro-4-methyl-3-pyridinyl)-3-nitrobenzamide?
The canonical SMILES for 4-chloro-N-(2-chloro-4-methyl-3-pyridinyl)-3-nitrobenzamide is Cc1ccnc(Cl)c1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 4-chloro-N-(2-chloro-4-methyl-3-pyridinyl)-3-nitrobenzamide?
The InChIKey is ZCYMKWMTGZINKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3O3/c1-7-4-5-16-12(15)11(7)17-13(19)8-2-3-9(14)10(6-8)18(20)21/h2-6H,1H3,(H,17,19).
What are the key properties of 4-chloro-N-(2-chloro-4-methyl-3-pyridinyl)-3-nitrobenzamide?
4-chloro-N-(2-chloro-4-methyl-3-pyridinyl)-3-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 4-chloro-N-(2-chloro-4-methyl-3-pyridinyl)-3-nitrobenzamide is sourced from PubChem (CID 65490473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).