3,4-dichloro-N-[(E)-pyridin-3-ylmethylideneamino]benzamide

C13H9Cl2N3O — CID 5335707

IUPAC3,4-dichloro-N-[(E)-pyridin-3-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1cccnc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H9Cl2N3O/c14-11-4-3-10(6-12(11)15)13(19)18-17-8-9-2-1-5-16-7-9/h1-8H,(H,18,19)/b17-8+
InChIKeyGWQVBBNLNIMGIR-CAOOACKPSA-N
MW294.14 g/mol
LogP3.15
Rot. Bonds3

About 3,4-dichloro-N-[(E)-pyridin-3-ylmethylideneamino]benzamide

3,4-dichloro-N-[(E)-pyridin-3-ylmethylideneamino]benzamide (PubChem CID 5335707) has the molecular formula C13H9Cl2N3O and a molecular weight of 294.14 g/mol. Its IUPAC name is 3,4-dichloro-N-[(E)-pyridin-3-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[(E)-pyridin-3-ylmethylideneamino]benzamide
PubChem CID5335707
Molecular FormulaC13H9Cl2N3O
Molecular Weight294.14 g/mol
Exact Mass293.01
IUPAC Name3,4-dichloro-N-[(E)-pyridin-3-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1cccnc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H9Cl2N3O/c14-11-4-3-10(6-12(11)15)13(19)18-17-8-9-2-1-5-16-7-9/h1-8H,(H,18,19)/b17-8+
InChIKeyGWQVBBNLNIMGIR-CAOOACKPSA-N
XLogP3.15
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.14
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(E)-pyridin-3-ylmethylideneamino]benzamide?
The IUPAC name of 3,4-dichloro-N-[(E)-pyridin-3-ylmethylideneamino]benzamide (CID 5335707) is 3,4-dichloro-N-[(E)-pyridin-3-ylmethylideneamino]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[(E)-pyridin-3-ylmethylideneamino]benzamide?
The canonical SMILES for 3,4-dichloro-N-[(E)-pyridin-3-ylmethylideneamino]benzamide is O=C(N/N=C/c1cccnc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[(E)-pyridin-3-ylmethylideneamino]benzamide?
The InChIKey is GWQVBBNLNIMGIR-CAOOACKPSA-N. The full InChI is InChI=1S/C13H9Cl2N3O/c14-11-4-3-10(6-12(11)15)13(19)18-17-8-9-2-1-5-16-7-9/h1-8H,(H,18,19)/b17-8+.
What are the key properties of 3,4-dichloro-N-[(E)-pyridin-3-ylmethylideneamino]benzamide?
3,4-dichloro-N-[(E)-pyridin-3-ylmethylideneamino]benzamide has a molecular weight of 294.14 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[(E)-pyridin-3-ylmethylideneamino]benzamide is sourced from PubChem (CID 5335707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).