2,6-dichloro-N-(6-chloro-3-pyridinyl)benzamide

C12H7Cl3N2O — CID 113247998

IUPAC2,6-dichloro-N-(6-chloro-3-pyridinyl)benzamide
SMILESO=C(Nc1ccc(Cl)nc1)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H7Cl3N2O/c13-8-2-1-3-9(14)11(8)12(18)17-7-4-5-10(15)16-6-7/h1-6H,(H,17,18)
InChIKeyOWKXICMBGKJWHY-UHFFFAOYSA-N
MW301.56 g/mol
LogP4.29
Rot. Bonds2

About 2,6-dichloro-N-(6-chloro-3-pyridinyl)benzamide

2,6-dichloro-N-(6-chloro-3-pyridinyl)benzamide (PubChem CID 113247998) has the molecular formula C12H7Cl3N2O and a molecular weight of 301.56 g/mol. Its IUPAC name is 2,6-dichloro-N-(6-chloro-3-pyridinyl)benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-(6-chloro-3-pyridinyl)benzamide
PubChem CID113247998
Molecular FormulaC12H7Cl3N2O
Molecular Weight301.56 g/mol
Exact Mass299.96
IUPAC Name2,6-dichloro-N-(6-chloro-3-pyridinyl)benzamide
SMILESO=C(Nc1ccc(Cl)nc1)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H7Cl3N2O/c13-8-2-1-3-9(14)11(8)12(18)17-7-4-5-10(15)16-6-7/h1-6H,(H,17,18)
InChIKeyOWKXICMBGKJWHY-UHFFFAOYSA-N
XLogP4.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.56
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,6-dichloro-N-(6-chloro-3-pyridinyl)pyridine-2-carboxamide
CID 78929855
2,6-dichloro-N-(4-methylphenyl)benzamide
CID 5152296
6-chloro-N-(6-chloro-3-pyridinyl)pyrazine-2-carboxamide
CID 103186985
N-(6-chloro-3-pyridinyl)-4-hydroxybenzamide
CID 103875090
N-(6-chloro-3-pyridinyl)furan-2-carboxamide
CID 54787856
2,6-dichloro-N-[6-(2,4-dimethylanilino)-3-pyridinyl]benzamide
CID 18419410
3-[(6-chloro-3-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid
CID 39353282
2-(2-chlorophenoxy)-N-(6-chloro-3-pyridinyl)acetamide
CID 54787980
3-bromo-4-chloro-N-(6-chloro-3-pyridinyl)benzamide
CID 113329917
N-(6-chloro-3-pyridinyl)-1H-indole-4-carboxamide
CID 79478764
2,6-dichloro-N-[(6-phenyl-3-pyridinyl)carbamoyl]benzamide
CID 13242737
N-(6-chloro-3-pyridinyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 56801418

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(6-chloro-3-pyridinyl)benzamide?
The IUPAC name of 2,6-dichloro-N-(6-chloro-3-pyridinyl)benzamide (CID 113247998) is 2,6-dichloro-N-(6-chloro-3-pyridinyl)benzamide.
What is the SMILES notation for 2,6-dichloro-N-(6-chloro-3-pyridinyl)benzamide?
The canonical SMILES for 2,6-dichloro-N-(6-chloro-3-pyridinyl)benzamide is O=C(Nc1ccc(Cl)nc1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-(6-chloro-3-pyridinyl)benzamide?
The InChIKey is OWKXICMBGKJWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3N2O/c13-8-2-1-3-9(14)11(8)12(18)17-7-4-5-10(15)16-6-7/h1-6H,(H,17,18).
What are the key properties of 2,6-dichloro-N-(6-chloro-3-pyridinyl)benzamide?
2,6-dichloro-N-(6-chloro-3-pyridinyl)benzamide has a molecular weight of 301.56 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(6-chloro-3-pyridinyl)benzamide is sourced from PubChem (CID 113247998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).