N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide

C24H19Cl2N3O3 — CID 126395139

About N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide

N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide (PubChem CID 126395139) has the molecular formula C24H19Cl2N3O3 and a molecular weight of 468.34 g/mol. Its IUPAC name is N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide.

Molecular Properties

• Compound Name: N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide
• PubChem CID: 126395139
• Molecular Formula: C24H19Cl2N3O3
• Molecular Weight: 468.34 g/mol
• Exact Mass: 467.08
• IUPAC Name: N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide
• SMILES: COc1ccc(C(=O)N/N=C\c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c(O)c1
• InChI: InChI=1S/C24H19Cl2N3O3/c1-32-17-7-8-19(23(30)11-17)24(31)28-27-12-16-14-29(22-5-3-2-4-18(16)22)13-15-6-9-20(25)21(26)10-15/h2-12,14,30H,13H2,1H3,(H,28,31)/b27-12-
• InChIKey: FOCRFUKOSNBGQG-PPDIBHTLSA-N
• XLogP: 5.47
• TPSA: 75.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.34
LogP ≤ 5	5.47
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 N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide?

The IUPAC name of N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide (CID 126395139) is N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide.

What is the SMILES notation for N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide?

The canonical SMILES for N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide is COc1ccc(C(=O)N/N=C\c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c(O)c1.

What is the InChIKey of N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide?

The InChIKey is FOCRFUKOSNBGQG-PPDIBHTLSA-N. The full InChI is InChI=1S/C24H19Cl2N3O3/c1-32-17-7-8-19(23(30)11-17)24(31)28-27-12-16-14-29(22-5-3-2-4-18(16)22)13-15-6-9-20(25)21(26)10-15/h2-12,14,30H,13H2,1H3,(H,28,31)/b27-12-.

What are the key properties of N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide?

N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide has a molecular weight of 468.34 g/mol, XLogP of 5.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 126395139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).