N-[(Z)-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide

C23H20Br2N2O5 — CID 126395065

About N-[(Z)-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide

N-[(Z)-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide (PubChem CID 126395065) has the molecular formula C23H20Br2N2O5 and a molecular weight of 564.23 g/mol. Its IUPAC name is N-[(Z)-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide.

Molecular Properties

• Compound Name: N-[(Z)-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide
• PubChem CID: 126395065
• Molecular Formula: C23H20Br2N2O5
• Molecular Weight: 564.23 g/mol
• Exact Mass: 561.97
• IUPAC Name: N-[(Z)-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide
• SMILES: COc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)c(O)c1
• InChI: InChI=1S/C23H20Br2N2O5/c1-30-17-7-8-18(20(28)11-17)23(29)27-26-12-15-9-19(25)22(21(10-15)31-2)32-13-14-3-5-16(24)6-4-14/h3-12,28H,13H2,1-2H3,(H,27,29)/b26-12-
• InChIKey: DSCFOKBKSZTMIC-ZRGSRPPYSA-N
• XLogP: 5.28
• TPSA: 89.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	564.23
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

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)-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide?

The IUPAC name of N-[(Z)-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide (CID 126395065) is N-[(Z)-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide.

What is the SMILES notation for N-[(Z)-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide?

The canonical SMILES for N-[(Z)-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide is COc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)c(O)c1.

What is the InChIKey of N-[(Z)-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide?

The InChIKey is DSCFOKBKSZTMIC-ZRGSRPPYSA-N. The full InChI is InChI=1S/C23H20Br2N2O5/c1-30-17-7-8-18(20(28)11-17)23(29)27-26-12-15-9-19(25)22(21(10-15)31-2)32-13-14-3-5-16(24)6-4-14/h3-12,28H,13H2,1-2H3,(H,27,29)/b26-12-.

What are the key properties of N-[(Z)-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide?

N-[(Z)-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide has a molecular weight of 564.23 g/mol, XLogP of 5.28, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 126395065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).