3,4-dichloro-N-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide

C24H20Cl3N3O4 — CID 3803468

About 3,4-dichloro-N-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide

3,4-dichloro-N-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 3803468) has the molecular formula C24H20Cl3N3O4 and a molecular weight of 520.80 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

• Compound Name: 3,4-dichloro-N-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide
• PubChem CID: 3803468
• Molecular Formula: C24H20Cl3N3O4
• Molecular Weight: 520.80 g/mol
• Exact Mass: 519.05
• IUPAC Name: 3,4-dichloro-N-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide
• SMILES: COc1cc(C=NNC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Cl)cc1
• InChI: InChI=1S/C24H20Cl3N3O4/c1-33-22-10-16(4-9-21(22)34-14-15-2-6-18(25)7-3-15)12-29-30-23(31)13-28-24(32)17-5-8-19(26)20(27)11-17/h2-12H,13-14H2,1H3,(H,28,32)(H,30,31)
• InChIKey: NSYYLWRHQUABSE-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 89.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.80
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

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-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide?

The IUPAC name of 3,4-dichloro-N-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide (CID 3803468) is 3,4-dichloro-N-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide.

What is the SMILES notation for 3,4-dichloro-N-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide?

The canonical SMILES for 3,4-dichloro-N-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide is COc1cc(C=NNC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Cl)cc1.

What is the InChIKey of 3,4-dichloro-N-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide?

The InChIKey is NSYYLWRHQUABSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl3N3O4/c1-33-22-10-16(4-9-21(22)34-14-15-2-6-18(25)7-3-15)12-29-30-23(31)13-28-24(32)17-5-8-19(26)20(27)11-17/h2-12H,13-14H2,1H3,(H,28,32)(H,30,31).

What are the key properties of 3,4-dichloro-N-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide?

3,4-dichloro-N-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 520.80 g/mol, XLogP of 5.11, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-dichloro-N-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 3803468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).