2,4-dichloro-N-[1-[2-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide

C26H23Cl4N3O3 — CID 3483297

About 2,4-dichloro-N-[1-[2-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide

2,4-dichloro-N-[1-[2-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 3483297) has the molecular formula C26H23Cl4N3O3 and a molecular weight of 567.30 g/mol. Its IUPAC name is 2,4-dichloro-N-[1-[2-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

• Compound Name: 2,4-dichloro-N-[1-[2-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
• PubChem CID: 3483297
• Molecular Formula: C26H23Cl4N3O3
• Molecular Weight: 567.30 g/mol
• Exact Mass: 565.05
• IUPAC Name: 2,4-dichloro-N-[1-[2-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
• SMILES: CC(C)C(NC(=O)c1ccc(Cl)cc1Cl)C(=O)NN=Cc1ccccc1OCc1ccc(Cl)cc1Cl
• InChI: InChI=1S/C26H23Cl4N3O3/c1-15(2)24(32-25(34)20-10-9-19(28)12-22(20)30)26(35)33-31-13-16-5-3-4-6-23(16)36-14-17-7-8-18(27)11-21(17)29/h3-13,15,24H,14H2,1-2H3,(H,32,34)(H,33,35)
• InChIKey: ANJIQYMDOFJBBA-UHFFFAOYSA-N
• XLogP: 6.78
• TPSA: 79.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.30
LogP ≤ 5	6.78
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 2,4-dichloro-N-[1-[2-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide?

The IUPAC name of 2,4-dichloro-N-[1-[2-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide (CID 3483297) is 2,4-dichloro-N-[1-[2-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide.

What is the SMILES notation for 2,4-dichloro-N-[1-[2-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide?

The canonical SMILES for 2,4-dichloro-N-[1-[2-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide is CC(C)C(NC(=O)c1ccc(Cl)cc1Cl)C(=O)NN=Cc1ccccc1OCc1ccc(Cl)cc1Cl.

What is the InChIKey of 2,4-dichloro-N-[1-[2-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide?

The InChIKey is ANJIQYMDOFJBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl4N3O3/c1-15(2)24(32-25(34)20-10-9-19(28)12-22(20)30)26(35)33-31-13-16-5-3-4-6-23(16)36-14-17-7-8-18(27)11-21(17)29/h3-13,15,24H,14H2,1-2H3,(H,32,34)(H,33,35).

What are the key properties of 2,4-dichloro-N-[1-[2-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide?

2,4-dichloro-N-[1-[2-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 567.30 g/mol, XLogP of 6.78, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dichloro-N-[1-[2-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 3483297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).