2,5-dichloro-N-(6-chloro-2-pyridinyl)benzamide

C12H7Cl3N2O — CID 115683172

IUPAC2,5-dichloro-N-(6-chloro-2-pyridinyl)benzamide
SMILESO=C(Nc1cccc(Cl)n1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H7Cl3N2O/c13-7-4-5-9(14)8(6-7)12(18)17-11-3-1-2-10(15)16-11/h1-6H,(H,16,17,18)
InChIKeyZVBOIHVKJOSFER-UHFFFAOYSA-N
MW301.56 g/mol
LogP4.29
Rot. Bonds2

About 2,5-dichloro-N-(6-chloro-2-pyridinyl)benzamide

2,5-dichloro-N-(6-chloro-2-pyridinyl)benzamide (PubChem CID 115683172) has the molecular formula C12H7Cl3N2O and a molecular weight of 301.56 g/mol. Its IUPAC name is 2,5-dichloro-N-(6-chloro-2-pyridinyl)benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-(6-chloro-2-pyridinyl)benzamide
PubChem CID115683172
Molecular FormulaC12H7Cl3N2O
Molecular Weight301.56 g/mol
Exact Mass299.96
IUPAC Name2,5-dichloro-N-(6-chloro-2-pyridinyl)benzamide
SMILESO=C(Nc1cccc(Cl)n1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H7Cl3N2O/c13-7-4-5-9(14)8(6-7)12(18)17-11-3-1-2-10(15)16-11/h1-6H,(H,16,17,18)
InChIKeyZVBOIHVKJOSFER-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

5-amino-2,3-dichloro-N-(6-chloro-2-pyridinyl)benzamide
CID 107185680
6-[(5-chloro-2-methoxybenzoyl)amino]pyridine-2-carboxylic acid
CID 63643423
N-(6-chloro-2-pyridinyl)naphthalene-1-carboxamide
CID 115683288
2,5-dichloro-N-(5-iodo-6-methyl-2-pyridinyl)benzamide
CID 19631637
4-bromo-N-(6-chloro-2-pyridinyl)-2-hydroxybenzamide
CID 104820162
5-bromo-N-(6-chloro-2-pyridinyl)-2-hydroxybenzamide
CID 103739840
N-(6-chloro-2-pyridinyl)-2,6-dimethylpyridine-3-carboxamide
CID 115683291
3-chloro-N-(6-chloro-2-pyridinyl)-2-nitrobenzamide
CID 79946418
5-chloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid
CID 72947279
2,5-dichloro-N-naphthalen-1-ylbenzamide
CID 2166526
2-chloro-5-iodo-N-(6-methyl-2-pyridinyl)benzamide
CID 1347930
2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide
CID 670750

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(6-chloro-2-pyridinyl)benzamide?
The IUPAC name of 2,5-dichloro-N-(6-chloro-2-pyridinyl)benzamide (CID 115683172) is 2,5-dichloro-N-(6-chloro-2-pyridinyl)benzamide.
What is the SMILES notation for 2,5-dichloro-N-(6-chloro-2-pyridinyl)benzamide?
The canonical SMILES for 2,5-dichloro-N-(6-chloro-2-pyridinyl)benzamide is O=C(Nc1cccc(Cl)n1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(6-chloro-2-pyridinyl)benzamide?
The InChIKey is ZVBOIHVKJOSFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3N2O/c13-7-4-5-9(14)8(6-7)12(18)17-11-3-1-2-10(15)16-11/h1-6H,(H,16,17,18).
What are the key properties of 2,5-dichloro-N-(6-chloro-2-pyridinyl)benzamide?
2,5-dichloro-N-(6-chloro-2-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 2,5-dichloro-N-(6-chloro-2-pyridinyl)benzamide is sourced from PubChem (CID 115683172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).