N-[2-[2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-2-iodobenzamide

C23H19ClIN3O3 — CID 3749719

About N-[2-[2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-2-iodobenzamide

N-[2-[2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-2-iodobenzamide (PubChem CID 3749719) has the molecular formula C23H19ClIN3O3 and a molecular weight of 547.78 g/mol. Its IUPAC name is N-[2-[2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-2-iodobenzamide.

Molecular Properties

• Compound Name: N-[2-[2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-2-iodobenzamide
• PubChem CID: 3749719
• Molecular Formula: C23H19ClIN3O3
• Molecular Weight: 547.78 g/mol
• Exact Mass: 547.02
• IUPAC Name: N-[2-[2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-2-iodobenzamide
• SMILES: O=C(CNC(=O)c1ccccc1I)NN=Cc1ccc(OCc2ccc(Cl)cc2)cc1
• InChI: InChI=1S/C23H19ClIN3O3/c24-18-9-5-17(6-10-18)15-31-19-11-7-16(8-12-19)13-27-28-22(29)14-26-23(30)20-3-1-2-4-21(20)25/h1-13H,14-15H2,(H,26,30)(H,28,29)
• InChIKey: CHHYRUBZMUBVGA-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 79.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	547.78
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-2-iodobenzamide?

The IUPAC name of N-[2-[2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-2-iodobenzamide (CID 3749719) is N-[2-[2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-2-iodobenzamide.

What is the SMILES notation for N-[2-[2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-2-iodobenzamide?

The canonical SMILES for N-[2-[2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-2-iodobenzamide is O=C(CNC(=O)c1ccccc1I)NN=Cc1ccc(OCc2ccc(Cl)cc2)cc1.

What is the InChIKey of N-[2-[2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-2-iodobenzamide?

The InChIKey is CHHYRUBZMUBVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClIN3O3/c24-18-9-5-17(6-10-18)15-31-19-11-7-16(8-12-19)13-27-28-22(29)14-26-23(30)20-3-1-2-4-21(20)25/h1-13H,14-15H2,(H,26,30)(H,28,29).

What are the key properties of N-[2-[2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-2-iodobenzamide?

N-[2-[2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-2-iodobenzamide has a molecular weight of 547.78 g/mol, XLogP of 4.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-2-iodobenzamide is sourced from PubChem (CID 3749719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).