3-bromo-N-[2-[(2Z)-2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide

C23H19BrClN3O3 — CID 6283954

About 3-bromo-N-[2-[(2Z)-2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide

3-bromo-N-[2-[(2Z)-2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 6283954) has the molecular formula C23H19BrClN3O3 and a molecular weight of 500.78 g/mol. Its IUPAC name is 3-bromo-N-[2-[(2Z)-2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

• Compound Name: 3-bromo-N-[2-[(2Z)-2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide
• PubChem CID: 6283954
• Molecular Formula: C23H19BrClN3O3
• Molecular Weight: 500.78 g/mol
• Exact Mass: 499.03
• IUPAC Name: 3-bromo-N-[2-[(2Z)-2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide
• SMILES: O=C(CNC(=O)c1cccc(Br)c1)N/N=C\c1ccc(OCc2ccc(Cl)cc2)cc1
• InChI: InChI=1S/C23H19BrClN3O3/c24-19-3-1-2-18(12-19)23(30)26-14-22(29)28-27-13-16-6-10-21(11-7-16)31-15-17-4-8-20(25)9-5-17/h1-13H,14-15H2,(H,26,30)(H,28,29)/b27-13-
• InChIKey: VMZHSOJACSNVHW-WKIKZPBSSA-N
• XLogP: 4.56
• 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	500.78
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-[(2Z)-2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide?

The IUPAC name of 3-bromo-N-[2-[(2Z)-2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide (CID 6283954) is 3-bromo-N-[2-[(2Z)-2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide.

What is the SMILES notation for 3-bromo-N-[2-[(2Z)-2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide?

The canonical SMILES for 3-bromo-N-[2-[(2Z)-2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide is O=C(CNC(=O)c1cccc(Br)c1)N/N=C\c1ccc(OCc2ccc(Cl)cc2)cc1.

What is the InChIKey of 3-bromo-N-[2-[(2Z)-2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide?

The InChIKey is VMZHSOJACSNVHW-WKIKZPBSSA-N. The full InChI is InChI=1S/C23H19BrClN3O3/c24-19-3-1-2-18(12-19)23(30)26-14-22(29)28-27-13-16-6-10-21(11-7-16)31-15-17-4-8-20(25)9-5-17/h1-13H,14-15H2,(H,26,30)(H,28,29)/b27-13-.

What are the key properties of 3-bromo-N-[2-[(2Z)-2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide?

3-bromo-N-[2-[(2Z)-2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 500.78 g/mol, XLogP of 4.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-N-[2-[(2Z)-2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 6283954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).