N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide

C28H21Cl3N2O3 — CID 19657531

About N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide

N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide (PubChem CID 19657531) has the molecular formula C28H21Cl3N2O3 and a molecular weight of 539.85 g/mol. Its IUPAC name is N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide.

Molecular Properties

• Compound Name: N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide
• PubChem CID: 19657531
• Molecular Formula: C28H21Cl3N2O3
• Molecular Weight: 539.85 g/mol
• Exact Mass: 538.06
• IUPAC Name: N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide
• SMILES: O=C(N/N=C\c1cccc(OCc2ccc(Cl)cc2)c1)c1ccccc1OCc1ccc(Cl)cc1Cl
• InChI: InChI=1S/C28H21Cl3N2O3/c29-22-11-8-19(9-12-22)17-35-24-5-3-4-20(14-24)16-32-33-28(34)25-6-1-2-7-27(25)36-18-21-10-13-23(30)15-26(21)31/h1-16H,17-18H2,(H,33,34)/b32-16-
• InChIKey: CPMZVRVKVWUEBM-ZMGVVAQMSA-N
• XLogP: 7.57
• TPSA: 59.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.85
LogP ≤ 5	7.57
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 N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide?

The IUPAC name of N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide (CID 19657531) is N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide.

What is the SMILES notation for N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide?

The canonical SMILES for N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide is O=C(N/N=C\c1cccc(OCc2ccc(Cl)cc2)c1)c1ccccc1OCc1ccc(Cl)cc1Cl.

What is the InChIKey of N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide?

The InChIKey is CPMZVRVKVWUEBM-ZMGVVAQMSA-N. The full InChI is InChI=1S/C28H21Cl3N2O3/c29-22-11-8-19(9-12-22)17-35-24-5-3-4-20(14-24)16-32-33-28(34)25-6-1-2-7-27(25)36-18-21-10-13-23(30)15-26(21)31/h1-16H,17-18H2,(H,33,34)/b32-16-.

What are the key properties of N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide?

N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide has a molecular weight of 539.85 g/mol, XLogP of 7.57, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide is sourced from PubChem (CID 19657531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).