(2R)-N-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide

C24H22BrClN2O4 — CID 126152996

About (2R)-N-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide

(2R)-N-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide (PubChem CID 126152996) has the molecular formula C24H22BrClN2O4 and a molecular weight of 517.81 g/mol. Its IUPAC name is (2R)-N-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide.

Molecular Properties

• Compound Name: (2R)-N-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide
• PubChem CID: 126152996
• Molecular Formula: C24H22BrClN2O4
• Molecular Weight: 517.81 g/mol
• Exact Mass: 516.05
• IUPAC Name: (2R)-N-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide
• SMILES: CCOc1cc(/C=N\NC(=O)[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1
• InChI: InChI=1S/C24H22BrClN2O4/c1-2-31-21-13-17(14-27-28-24(30)22(29)18-6-4-3-5-7-18)12-20(25)23(21)32-15-16-8-10-19(26)11-9-16/h3-14,22,29H,2,15H2,1H3,(H,28,30)/b27-14-/t22-/m1/s1
• InChIKey: SRTGCUAUGXZLNC-IPYFEQEDSA-N
• XLogP: 5.26
• TPSA: 80.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.81
LogP ≤ 5	5.26
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 (2R)-N-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide?

The IUPAC name of (2R)-N-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide (CID 126152996) is (2R)-N-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide.

What is the SMILES notation for (2R)-N-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide?

The canonical SMILES for (2R)-N-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide is CCOc1cc(/C=N\NC(=O)[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1.

What is the InChIKey of (2R)-N-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide?

The InChIKey is SRTGCUAUGXZLNC-IPYFEQEDSA-N. The full InChI is InChI=1S/C24H22BrClN2O4/c1-2-31-21-13-17(14-27-28-24(30)22(29)18-6-4-3-5-7-18)12-20(25)23(21)32-15-16-8-10-19(26)11-9-16/h3-14,22,29H,2,15H2,1H3,(H,28,30)/b27-14-/t22-/m1/s1.

What are the key properties of (2R)-N-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide?

(2R)-N-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide has a molecular weight of 517.81 g/mol, XLogP of 5.26, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 126152996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).