2-bromo-N-[1-[2-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide

C24H19BrCl3N3O3 — CID 3450201

About 2-bromo-N-[1-[2-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide

2-bromo-N-[1-[2-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide (PubChem CID 3450201) has the molecular formula C24H19BrCl3N3O3 and a molecular weight of 583.70 g/mol. Its IUPAC name is 2-bromo-N-[1-[2-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide.

Molecular Properties

• Compound Name: 2-bromo-N-[1-[2-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide
• PubChem CID: 3450201
• Molecular Formula: C24H19BrCl3N3O3
• Molecular Weight: 583.70 g/mol
• Exact Mass: 580.97
• IUPAC Name: 2-bromo-N-[1-[2-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide
• SMILES: CC(NC(=O)c1ccccc1Br)C(=O)NN=Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl
• InChI: InChI=1S/C24H19BrCl3N3O3/c1-14(30-24(33)19-4-2-3-5-20(19)25)23(32)31-29-12-16-10-17(26)8-9-22(16)34-13-15-6-7-18(27)11-21(15)28/h2-12,14H,13H2,1H3,(H,30,33)(H,31,32)
• InChIKey: AIBXWJYXTMHKGM-UHFFFAOYSA-N
• XLogP: 6.26
• TPSA: 79.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	583.70
LogP ≤ 5	6.26
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 2-bromo-N-[1-[2-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide?

The IUPAC name of 2-bromo-N-[1-[2-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide (CID 3450201) is 2-bromo-N-[1-[2-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide.

What is the SMILES notation for 2-bromo-N-[1-[2-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide?

The canonical SMILES for 2-bromo-N-[1-[2-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide is CC(NC(=O)c1ccccc1Br)C(=O)NN=Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl.

What is the InChIKey of 2-bromo-N-[1-[2-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide?

The InChIKey is AIBXWJYXTMHKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BrCl3N3O3/c1-14(30-24(33)19-4-2-3-5-20(19)25)23(32)31-29-12-16-10-17(26)8-9-22(16)34-13-15-6-7-18(27)11-21(15)28/h2-12,14H,13H2,1H3,(H,30,33)(H,31,32).

What are the key properties of 2-bromo-N-[1-[2-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide?

2-bromo-N-[1-[2-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide has a molecular weight of 583.70 g/mol, XLogP of 6.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-N-[1-[2-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 3450201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).