3,5-dibromo-N-[(Z)-[2,3-dibromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-4-hydroxybenzamide

C22H14Br4Cl2N2O4 — CID 126008222

About 3,5-dibromo-N-[(Z)-[2,3-dibromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-4-hydroxybenzamide

3,5-dibromo-N-[(Z)-[2,3-dibromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-4-hydroxybenzamide (PubChem CID 126008222) has the molecular formula C22H14Br4Cl2N2O4 and a molecular weight of 760.89 g/mol. Its IUPAC name is 3,5-dibromo-N-[(Z)-[2,3-dibromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-4-hydroxybenzamide.

Molecular Properties

• Compound Name: 3,5-dibromo-N-[(Z)-[2,3-dibromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-4-hydroxybenzamide
• PubChem CID: 126008222
• Molecular Formula: C22H14Br4Cl2N2O4
• Molecular Weight: 760.89 g/mol
• Exact Mass: 755.71
• IUPAC Name: 3,5-dibromo-N-[(Z)-[2,3-dibromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-4-hydroxybenzamide
• SMILES: COc1cc(/C=N\NC(=O)c2cc(Br)c(O)c(Br)c2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1
• InChI: InChI=1S/C22H14Br4Cl2N2O4/c1-33-17-7-12(8-29-30-22(32)11-5-13(23)20(31)14(24)6-11)18(25)19(26)21(17)34-9-10-2-3-15(27)16(28)4-10/h2-8,31H,9H2,1H3,(H,30,32)/b29-8-
• InChIKey: WTSXNLLGZIVOAX-HYYKAVFWSA-N
• XLogP: 8.10
• TPSA: 80.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	760.89
LogP ≤ 5	8.10
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 3,5-dibromo-N-[(Z)-[2,3-dibromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-4-hydroxybenzamide?

The IUPAC name of 3,5-dibromo-N-[(Z)-[2,3-dibromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-4-hydroxybenzamide (CID 126008222) is 3,5-dibromo-N-[(Z)-[2,3-dibromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-4-hydroxybenzamide.

What is the SMILES notation for 3,5-dibromo-N-[(Z)-[2,3-dibromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-4-hydroxybenzamide?

The canonical SMILES for 3,5-dibromo-N-[(Z)-[2,3-dibromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-4-hydroxybenzamide is COc1cc(/C=N\NC(=O)c2cc(Br)c(O)c(Br)c2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1.

What is the InChIKey of 3,5-dibromo-N-[(Z)-[2,3-dibromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-4-hydroxybenzamide?

The InChIKey is WTSXNLLGZIVOAX-HYYKAVFWSA-N. The full InChI is InChI=1S/C22H14Br4Cl2N2O4/c1-33-17-7-12(8-29-30-22(32)11-5-13(23)20(31)14(24)6-11)18(25)19(26)21(17)34-9-10-2-3-15(27)16(28)4-10/h2-8,31H,9H2,1H3,(H,30,32)/b29-8-.

What are the key properties of 3,5-dibromo-N-[(Z)-[2,3-dibromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-4-hydroxybenzamide?

3,5-dibromo-N-[(Z)-[2,3-dibromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-4-hydroxybenzamide has a molecular weight of 760.89 g/mol, XLogP of 8.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dibromo-N-[(Z)-[2,3-dibromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-4-hydroxybenzamide is sourced from PubChem (CID 126008222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).