3,4-dichloro-N-[(E)-1-pyridin-2-ylethylideneamino]benzamide

C14H11Cl2N3O — CID 5335613

IUPAC3,4-dichloro-N-[(E)-1-pyridin-2-ylethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1ccc(Cl)c(Cl)c1)c1ccccn1
InChIInChI=1S/C14H11Cl2N3O/c1-9(13-4-2-3-7-17-13)18-19-14(20)10-5-6-11(15)12(16)8-10/h2-8H,1H3,(H,19,20)/b18-9+
InChIKeyQDXMFCZLMYCHCL-GIJQJNRQSA-N
MW308.17 g/mol
LogP3.54
Rot. Bonds3

About 3,4-dichloro-N-[(E)-1-pyridin-2-ylethylideneamino]benzamide

3,4-dichloro-N-[(E)-1-pyridin-2-ylethylideneamino]benzamide (PubChem CID 5335613) has the molecular formula C14H11Cl2N3O and a molecular weight of 308.17 g/mol. Its IUPAC name is 3,4-dichloro-N-[(E)-1-pyridin-2-ylethylideneamino]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[(E)-1-pyridin-2-ylethylideneamino]benzamide
PubChem CID5335613
Molecular FormulaC14H11Cl2N3O
Molecular Weight308.17 g/mol
Exact Mass307.03
IUPAC Name3,4-dichloro-N-[(E)-1-pyridin-2-ylethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1ccc(Cl)c(Cl)c1)c1ccccn1
InChIInChI=1S/C14H11Cl2N3O/c1-9(13-4-2-3-7-17-13)18-19-14(20)10-5-6-11(15)12(16)8-10/h2-8H,1H3,(H,19,20)/b18-9+
InChIKeyQDXMFCZLMYCHCL-GIJQJNRQSA-N
XLogP3.54
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 53.54
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)-1-pyridin-2-ylethylideneamino]benzamide?
The IUPAC name of 3,4-dichloro-N-[(E)-1-pyridin-2-ylethylideneamino]benzamide (CID 5335613) is 3,4-dichloro-N-[(E)-1-pyridin-2-ylethylideneamino]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[(E)-1-pyridin-2-ylethylideneamino]benzamide?
The canonical SMILES for 3,4-dichloro-N-[(E)-1-pyridin-2-ylethylideneamino]benzamide is C/C(=N\NC(=O)c1ccc(Cl)c(Cl)c1)c1ccccn1.
What is the InChIKey of 3,4-dichloro-N-[(E)-1-pyridin-2-ylethylideneamino]benzamide?
The InChIKey is QDXMFCZLMYCHCL-GIJQJNRQSA-N. The full InChI is InChI=1S/C14H11Cl2N3O/c1-9(13-4-2-3-7-17-13)18-19-14(20)10-5-6-11(15)12(16)8-10/h2-8H,1H3,(H,19,20)/b18-9+.
What are the key properties of 3,4-dichloro-N-[(E)-1-pyridin-2-ylethylideneamino]benzamide?
3,4-dichloro-N-[(E)-1-pyridin-2-ylethylideneamino]benzamide has a molecular weight of 308.17 g/mol, XLogP of 3.54, 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)-1-pyridin-2-ylethylideneamino]benzamide is sourced from PubChem (CID 5335613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).