2-[[3-[3-[(3-chlorophenyl)methoxy]phenyl]phenyl]methylideneamino]oxyacetic acid

C22H18ClNO4 — CID 91584716

About 2-[[3-[3-[(3-chlorophenyl)methoxy]phenyl]phenyl]methylideneamino]oxyacetic acid

2-[[3-[3-[(3-chlorophenyl)methoxy]phenyl]phenyl]methylideneamino]oxyacetic acid (PubChem CID 91584716) has the molecular formula C22H18ClNO4 and a molecular weight of 395.84 g/mol. Its IUPAC name is 2-[[3-[3-[(3-chlorophenyl)methoxy]phenyl]phenyl]methylideneamino]oxyacetic acid.

Molecular Properties

• Compound Name: 2-[[3-[3-[(3-chlorophenyl)methoxy]phenyl]phenyl]methylideneamino]oxyacetic acid
• PubChem CID: 91584716
• Molecular Formula: C22H18ClNO4
• Molecular Weight: 395.84 g/mol
• Exact Mass: 395.09
• IUPAC Name: 2-[[3-[3-[(3-chlorophenyl)methoxy]phenyl]phenyl]methylideneamino]oxyacetic acid
• SMILES: O=C(O)CON=Cc1cccc(-c2cccc(OCc3cccc(Cl)c3)c2)c1
• InChI: InChI=1S/C22H18ClNO4/c23-20-8-2-5-17(11-20)14-27-21-9-3-7-19(12-21)18-6-1-4-16(10-18)13-24-28-15-22(25)26/h1-13H,14-15H2,(H,25,26)
• InChIKey: NMVDGTRUMOJRCA-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 68.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	395.84
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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 2-[[3-[3-[(3-chlorophenyl)methoxy]phenyl]phenyl]methylideneamino]oxyacetic acid?

The IUPAC name of 2-[[3-[3-[(3-chlorophenyl)methoxy]phenyl]phenyl]methylideneamino]oxyacetic acid (CID 91584716) is 2-[[3-[3-[(3-chlorophenyl)methoxy]phenyl]phenyl]methylideneamino]oxyacetic acid.

What is the SMILES notation for 2-[[3-[3-[(3-chlorophenyl)methoxy]phenyl]phenyl]methylideneamino]oxyacetic acid?

The canonical SMILES for 2-[[3-[3-[(3-chlorophenyl)methoxy]phenyl]phenyl]methylideneamino]oxyacetic acid is O=C(O)CON=Cc1cccc(-c2cccc(OCc3cccc(Cl)c3)c2)c1.

What is the InChIKey of 2-[[3-[3-[(3-chlorophenyl)methoxy]phenyl]phenyl]methylideneamino]oxyacetic acid?

The InChIKey is NMVDGTRUMOJRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO4/c23-20-8-2-5-17(11-20)14-27-21-9-3-7-19(12-21)18-6-1-4-16(10-18)13-24-28-15-22(25)26/h1-13H,14-15H2,(H,25,26).

What are the key properties of 2-[[3-[3-[(3-chlorophenyl)methoxy]phenyl]phenyl]methylideneamino]oxyacetic acid?

2-[[3-[3-[(3-chlorophenyl)methoxy]phenyl]phenyl]methylideneamino]oxyacetic acid has a molecular weight of 395.84 g/mol, XLogP of 5.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-[3-[(3-chlorophenyl)methoxy]phenyl]phenyl]methylideneamino]oxyacetic acid is sourced from PubChem (CID 91584716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).