N-[(Z)-[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide

C28H25ClN2O2 — CID 92657836

About N-[(Z)-[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide

N-[(Z)-[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide (PubChem CID 92657836) has the molecular formula C28H25ClN2O2 and a molecular weight of 456.97 g/mol. Its IUPAC name is N-[(Z)-[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide.

Molecular Properties

• Compound Name: N-[(Z)-[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
• PubChem CID: 92657836
• Molecular Formula: C28H25ClN2O2
• Molecular Weight: 456.97 g/mol
• Exact Mass: 456.16
• IUPAC Name: N-[(Z)-[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
• SMILES: Cc1ccc(CC(=O)N/N=C\c2cc(Cl)ccc2OCc2cccc3ccccc23)c(C)c1
• InChI: InChI=1S/C28H25ClN2O2/c1-19-10-11-22(20(2)14-19)16-28(32)31-30-17-24-15-25(29)12-13-27(24)33-18-23-8-5-7-21-6-3-4-9-26(21)23/h3-15,17H,16,18H2,1-2H3,(H,31,32)/b30-17-
• InChIKey: BXFOXZNPOYLXGN-LQNQUEJISA-N
• XLogP: 6.38
• TPSA: 50.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.97
LogP ≤ 5	6.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

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)-[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide?

The IUPAC name of N-[(Z)-[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide (CID 92657836) is N-[(Z)-[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide.

What is the SMILES notation for N-[(Z)-[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide?

The canonical SMILES for N-[(Z)-[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide is Cc1ccc(CC(=O)N/N=C\c2cc(Cl)ccc2OCc2cccc3ccccc23)c(C)c1.

What is the InChIKey of N-[(Z)-[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide?

The InChIKey is BXFOXZNPOYLXGN-LQNQUEJISA-N. The full InChI is InChI=1S/C28H25ClN2O2/c1-19-10-11-22(20(2)14-19)16-28(32)31-30-17-24-15-25(29)12-13-27(24)33-18-23-8-5-7-21-6-3-4-9-26(21)23/h3-15,17H,16,18H2,1-2H3,(H,31,32)/b30-17-.

What are the key properties of N-[(Z)-[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide?

N-[(Z)-[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide has a molecular weight of 456.97 g/mol, XLogP of 6.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 92657836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).