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

C26H24Cl3N3O3 — CID 3367369

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

2,4-dichloro-N-[1-[2-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 3367369) has the molecular formula C26H24Cl3N3O3 and a molecular weight of 532.86 g/mol. Its IUPAC name is 2,4-dichloro-N-[1-[2-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

• Compound Name: 2,4-dichloro-N-[1-[2-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
• PubChem CID: 3367369
• Molecular Formula: C26H24Cl3N3O3
• Molecular Weight: 532.86 g/mol
• Exact Mass: 531.09
• IUPAC Name: 2,4-dichloro-N-[1-[2-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
• SMILES: CC(C)C(NC(=O)c1ccc(Cl)cc1Cl)C(=O)NN=Cc1ccc(OCc2ccccc2Cl)cc1
• InChI: InChI=1S/C26H24Cl3N3O3/c1-16(2)24(31-25(33)21-12-9-19(27)13-23(21)29)26(34)32-30-14-17-7-10-20(11-8-17)35-15-18-5-3-4-6-22(18)28/h3-14,16,24H,15H2,1-2H3,(H,31,33)(H,32,34)
• InChIKey: DOUHFDQGWAXBJW-UHFFFAOYSA-N
• XLogP: 6.13
• TPSA: 79.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.86
LogP ≤ 5	6.13
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-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide?

The IUPAC name of 2,4-dichloro-N-[1-[2-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide (CID 3367369) is 2,4-dichloro-N-[1-[2-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide.

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

The canonical SMILES for 2,4-dichloro-N-[1-[2-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide is CC(C)C(NC(=O)c1ccc(Cl)cc1Cl)C(=O)NN=Cc1ccc(OCc2ccccc2Cl)cc1.

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

The InChIKey is DOUHFDQGWAXBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24Cl3N3O3/c1-16(2)24(31-25(33)21-12-9-19(27)13-23(21)29)26(34)32-30-14-17-7-10-20(11-8-17)35-15-18-5-3-4-6-22(18)28/h3-14,16,24H,15H2,1-2H3,(H,31,33)(H,32,34).

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

2,4-dichloro-N-[1-[2-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 532.86 g/mol, XLogP of 6.13, 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-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 3367369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).