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

C22H16BrCl3N2O4 — CID 124558600

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

5-bromo-N-[(Z)-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxybenzamide (PubChem CID 124558600) has the molecular formula C22H16BrCl3N2O4 and a molecular weight of 558.64 g/mol. Its IUPAC name is 5-bromo-N-[(Z)-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxybenzamide.

Molecular Properties

• Compound Name: 5-bromo-N-[(Z)-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxybenzamide
• PubChem CID: 124558600
• Molecular Formula: C22H16BrCl3N2O4
• Molecular Weight: 558.64 g/mol
• Exact Mass: 555.94
• IUPAC Name: 5-bromo-N-[(Z)-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxybenzamide
• SMILES: COc1cc(/C=N\NC(=O)c2cc(Br)ccc2O)cc(Cl)c1OCc1ccc(Cl)cc1Cl
• InChI: InChI=1S/C22H16BrCl3N2O4/c1-31-20-7-12(10-27-28-22(30)16-8-14(23)3-5-19(16)29)6-18(26)21(20)32-11-13-2-4-15(24)9-17(13)25/h2-10,29H,11H2,1H3,(H,28,30)/b27-10-
• InChIKey: GEPUDUUHDPTEMO-NCAUGAEKSA-N
• XLogP: 6.47
• TPSA: 80.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	558.64
LogP ≤ 5	6.47
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 5-bromo-N-[(Z)-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxybenzamide?

The IUPAC name of 5-bromo-N-[(Z)-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxybenzamide (CID 124558600) is 5-bromo-N-[(Z)-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxybenzamide.

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

The canonical SMILES for 5-bromo-N-[(Z)-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxybenzamide is COc1cc(/C=N\NC(=O)c2cc(Br)ccc2O)cc(Cl)c1OCc1ccc(Cl)cc1Cl.

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

The InChIKey is GEPUDUUHDPTEMO-NCAUGAEKSA-N. The full InChI is InChI=1S/C22H16BrCl3N2O4/c1-31-20-7-12(10-27-28-22(30)16-8-14(23)3-5-19(16)29)6-18(26)21(20)32-11-13-2-4-15(24)9-17(13)25/h2-10,29H,11H2,1H3,(H,28,30)/b27-10-.

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

5-bromo-N-[(Z)-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxybenzamide has a molecular weight of 558.64 g/mol, XLogP of 6.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-[(Z)-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 124558600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).