N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-(3,4-dimethylphenyl)acetamide

C24H21ClI2N2O2 — CID 6181959

About N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-(3,4-dimethylphenyl)acetamide

N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-(3,4-dimethylphenyl)acetamide (PubChem CID 6181959) has the molecular formula C24H21ClI2N2O2 and a molecular weight of 658.71 g/mol. Its IUPAC name is N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-(3,4-dimethylphenyl)acetamide.

Molecular Properties

• Compound Name: N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-(3,4-dimethylphenyl)acetamide
• PubChem CID: 6181959
• Molecular Formula: C24H21ClI2N2O2
• Molecular Weight: 658.71 g/mol
• Exact Mass: 657.94
• IUPAC Name: N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-(3,4-dimethylphenyl)acetamide
• SMILES: Cc1ccc(CC(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)cc1C
• InChI: InChI=1S/C24H21ClI2N2O2/c1-15-3-4-18(9-16(15)2)12-23(30)29-28-13-19-10-21(26)24(22(27)11-19)31-14-17-5-7-20(25)8-6-17/h3-11,13H,12,14H2,1-2H3,(H,29,30)/b28-13-
• InChIKey: CAKRPKCEGCIXGY-QDTIIGTASA-N
• XLogP: 6.44
• TPSA: 50.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	658.71
LogP ≤ 5	6.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-(3,4-dimethylphenyl)acetamide?

The IUPAC name of N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-(3,4-dimethylphenyl)acetamide (CID 6181959) is N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-(3,4-dimethylphenyl)acetamide.

What is the SMILES notation for N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-(3,4-dimethylphenyl)acetamide?

The canonical SMILES for N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-(3,4-dimethylphenyl)acetamide is Cc1ccc(CC(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)cc1C.

What is the InChIKey of N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-(3,4-dimethylphenyl)acetamide?

The InChIKey is CAKRPKCEGCIXGY-QDTIIGTASA-N. The full InChI is InChI=1S/C24H21ClI2N2O2/c1-15-3-4-18(9-16(15)2)12-23(30)29-28-13-19-10-21(26)24(22(27)11-19)31-14-17-5-7-20(25)8-6-17/h3-11,13H,12,14H2,1-2H3,(H,29,30)/b28-13-.

What are the key properties of N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-(3,4-dimethylphenyl)acetamide?

N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-(3,4-dimethylphenyl)acetamide has a molecular weight of 658.71 g/mol, XLogP of 6.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 6181959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).