2-chloro-N-[2-methoxy-4-(pyridin-2-yldiazenyl)phenyl]benzamide

C19H15ClN4O2 — CID 76853680

IUPAC2-chloro-N-[2-methoxy-4-(pyridin-2-yldiazenyl)phenyl]benzamide
SMILESCOc1cc(/N=N/c2ccccn2)ccc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C19H15ClN4O2/c1-26-17-12-13(23-24-18-8-4-5-11-21-18)9-10-16(17)22-19(25)14-6-2-3-7-15(14)20/h2-12H,1H3,(H,22,25)/b24-23+
InChIKeyJJRNGNCTPCWXGM-WCWDXBQESA-N
MW366.81 g/mol
LogP5.41
Rot. Bonds5

About 2-chloro-N-[2-methoxy-4-(pyridin-2-yldiazenyl)phenyl]benzamide

2-chloro-N-[2-methoxy-4-(pyridin-2-yldiazenyl)phenyl]benzamide (PubChem CID 76853680) has the molecular formula C19H15ClN4O2 and a molecular weight of 366.81 g/mol. Its IUPAC name is 2-chloro-N-[2-methoxy-4-(pyridin-2-yldiazenyl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-methoxy-4-(pyridin-2-yldiazenyl)phenyl]benzamide
PubChem CID76853680
Molecular FormulaC19H15ClN4O2
Molecular Weight366.81 g/mol
Exact Mass366.09
IUPAC Name2-chloro-N-[2-methoxy-4-(pyridin-2-yldiazenyl)phenyl]benzamide
SMILESCOc1cc(/N=N/c2ccccn2)ccc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C19H15ClN4O2/c1-26-17-12-13(23-24-18-8-4-5-11-21-18)9-10-16(17)22-19(25)14-6-2-3-7-15(14)20/h2-12H,1H3,(H,22,25)/b24-23+
InChIKeyJJRNGNCTPCWXGM-WCWDXBQESA-N
XLogP5.41
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.81
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 2-chloro-N-[2-methoxy-4-(pyridin-2-yldiazenyl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-methoxy-4-(pyridin-2-yldiazenyl)phenyl]benzamide?
The IUPAC name of 2-chloro-N-[2-methoxy-4-(pyridin-2-yldiazenyl)phenyl]benzamide (CID 76853680) is 2-chloro-N-[2-methoxy-4-(pyridin-2-yldiazenyl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-methoxy-4-(pyridin-2-yldiazenyl)phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-methoxy-4-(pyridin-2-yldiazenyl)phenyl]benzamide is COc1cc(/N=N/c2ccccn2)ccc1NC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-methoxy-4-(pyridin-2-yldiazenyl)phenyl]benzamide?
The InChIKey is JJRNGNCTPCWXGM-WCWDXBQESA-N. The full InChI is InChI=1S/C19H15ClN4O2/c1-26-17-12-13(23-24-18-8-4-5-11-21-18)9-10-16(17)22-19(25)14-6-2-3-7-15(14)20/h2-12H,1H3,(H,22,25)/b24-23+.
What are the key properties of 2-chloro-N-[2-methoxy-4-(pyridin-2-yldiazenyl)phenyl]benzamide?
2-chloro-N-[2-methoxy-4-(pyridin-2-yldiazenyl)phenyl]benzamide has a molecular weight of 366.81 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-methoxy-4-(pyridin-2-yldiazenyl)phenyl]benzamide is sourced from PubChem (CID 76853680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).