4-chloro-N-(6-chloro-3-pyridinyl)benzamide

C12H8Cl2N2O — CID 4314115

IUPAC4-chloro-N-(6-chloro-3-pyridinyl)benzamide
SMILESO=C(Nc1ccc(Cl)nc1)c1ccc(Cl)cc1
InChIInChI=1S/C12H8Cl2N2O/c13-9-3-1-8(2-4-9)12(17)16-10-5-6-11(14)15-7-10/h1-7H,(H,16,17)
InChIKeyFOYOGIUAMYSVIT-UHFFFAOYSA-N
MW267.12 g/mol
LogP3.64
Rot. Bonds2

About 4-chloro-N-(6-chloro-3-pyridinyl)benzamide

4-chloro-N-(6-chloro-3-pyridinyl)benzamide (PubChem CID 4314115) has the molecular formula C12H8Cl2N2O and a molecular weight of 267.12 g/mol. Its IUPAC name is 4-chloro-N-(6-chloro-3-pyridinyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(6-chloro-3-pyridinyl)benzamide
PubChem CID4314115
Molecular FormulaC12H8Cl2N2O
Molecular Weight267.12 g/mol
Exact Mass266.00
IUPAC Name4-chloro-N-(6-chloro-3-pyridinyl)benzamide
SMILESO=C(Nc1ccc(Cl)nc1)c1ccc(Cl)cc1
InChIInChI=1S/C12H8Cl2N2O/c13-9-3-1-8(2-4-9)12(17)16-10-5-6-11(14)15-7-10/h1-7H,(H,16,17)
InChIKeyFOYOGIUAMYSVIT-UHFFFAOYSA-N
XLogP3.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.12
LogP ≤ 53.64
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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(6-chloro-3-pyridinyl)benzamide?
The IUPAC name of 4-chloro-N-(6-chloro-3-pyridinyl)benzamide (CID 4314115) is 4-chloro-N-(6-chloro-3-pyridinyl)benzamide.
What is the SMILES notation for 4-chloro-N-(6-chloro-3-pyridinyl)benzamide?
The canonical SMILES for 4-chloro-N-(6-chloro-3-pyridinyl)benzamide is O=C(Nc1ccc(Cl)nc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(6-chloro-3-pyridinyl)benzamide?
The InChIKey is FOYOGIUAMYSVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O/c13-9-3-1-8(2-4-9)12(17)16-10-5-6-11(14)15-7-10/h1-7H,(H,16,17).
What are the key properties of 4-chloro-N-(6-chloro-3-pyridinyl)benzamide?
4-chloro-N-(6-chloro-3-pyridinyl)benzamide has a molecular weight of 267.12 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(6-chloro-3-pyridinyl)benzamide is sourced from PubChem (CID 4314115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).