3,4-dichloro-N-[3-[2-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide

C24H19Cl4N3O3 — CID 3271904

About 3,4-dichloro-N-[3-[2-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide

3,4-dichloro-N-[3-[2-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide (PubChem CID 3271904) has the molecular formula C24H19Cl4N3O3 and a molecular weight of 539.25 g/mol. Its IUPAC name is 3,4-dichloro-N-[3-[2-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide.

Molecular Properties

• Compound Name: 3,4-dichloro-N-[3-[2-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide
• PubChem CID: 3271904
• Molecular Formula: C24H19Cl4N3O3
• Molecular Weight: 539.25 g/mol
• Exact Mass: 537.02
• IUPAC Name: 3,4-dichloro-N-[3-[2-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide
• SMILES: O=C(CCNC(=O)c1ccc(Cl)c(Cl)c1)NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1
• InChI: InChI=1S/C24H19Cl4N3O3/c25-18-5-3-17(21(27)12-18)14-34-19-6-1-15(2-7-19)13-30-31-23(32)9-10-29-24(33)16-4-8-20(26)22(28)11-16/h1-8,11-13H,9-10,14H2,(H,29,33)(H,31,32)
• InChIKey: DQXOWAIHFSVTGT-UHFFFAOYSA-N
• XLogP: 6.15
• TPSA: 79.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.25
LogP ≤ 5	6.15
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 3,4-dichloro-N-[3-[2-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide?

The IUPAC name of 3,4-dichloro-N-[3-[2-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide (CID 3271904) is 3,4-dichloro-N-[3-[2-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide.

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

The canonical SMILES for 3,4-dichloro-N-[3-[2-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccc(Cl)c(Cl)c1)NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1.

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

The InChIKey is DQXOWAIHFSVTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl4N3O3/c25-18-5-3-17(21(27)12-18)14-34-19-6-1-15(2-7-19)13-30-31-23(32)9-10-29-24(33)16-4-8-20(26)22(28)11-16/h1-8,11-13H,9-10,14H2,(H,29,33)(H,31,32).

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

3,4-dichloro-N-[3-[2-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide has a molecular weight of 539.25 g/mol, XLogP of 6.15, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-dichloro-N-[3-[2-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide is sourced from PubChem (CID 3271904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).