N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methylphenyl)propanediamide

C24H21Cl2N3O3 — CID 3323945

About N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methylphenyl)propanediamide

N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methylphenyl)propanediamide (PubChem CID 3323945) has the molecular formula C24H21Cl2N3O3 and a molecular weight of 470.36 g/mol. Its IUPAC name is N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methylphenyl)propanediamide.

Molecular Properties

• Compound Name: N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methylphenyl)propanediamide
• PubChem CID: 3323945
• Molecular Formula: C24H21Cl2N3O3
• Molecular Weight: 470.36 g/mol
• Exact Mass: 469.10
• IUPAC Name: N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methylphenyl)propanediamide
• SMILES: Cc1ccccc1NC(=O)CC(=O)NN=Cc1cc(Cl)ccc1OCc1cccc(Cl)c1
• InChI: InChI=1S/C24H21Cl2N3O3/c1-16-5-2-3-8-21(16)28-23(30)13-24(31)29-27-14-18-12-20(26)9-10-22(18)32-15-17-6-4-7-19(25)11-17/h2-12,14H,13,15H2,1H3,(H,28,30)(H,29,31)
• InChIKey: YHUJGTLKWMNNQO-UHFFFAOYSA-N
• XLogP: 5.36
• TPSA: 79.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.36
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'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'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methylphenyl)propanediamide?

The IUPAC name of N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methylphenyl)propanediamide (CID 3323945) is N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methylphenyl)propanediamide.

What is the SMILES notation for N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methylphenyl)propanediamide?

The canonical SMILES for N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methylphenyl)propanediamide is Cc1ccccc1NC(=O)CC(=O)NN=Cc1cc(Cl)ccc1OCc1cccc(Cl)c1.

What is the InChIKey of N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methylphenyl)propanediamide?

The InChIKey is YHUJGTLKWMNNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2N3O3/c1-16-5-2-3-8-21(16)28-23(30)13-24(31)29-27-14-18-12-20(26)9-10-22(18)32-15-17-6-4-7-19(25)11-17/h2-12,14H,13,15H2,1H3,(H,28,30)(H,29,31).

What are the key properties of N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methylphenyl)propanediamide?

N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methylphenyl)propanediamide has a molecular weight of 470.36 g/mol, XLogP of 5.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methylphenyl)propanediamide is sourced from PubChem (CID 3323945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).