2-(4-bromophenyl)-N-[(E)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide

C27H23BrN2O2 — CID 19061644

About 2-(4-bromophenyl)-N-[(E)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide

2-(4-bromophenyl)-N-[(E)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide (PubChem CID 19061644) has the molecular formula C27H23BrN2O2 and a molecular weight of 487.40 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[(E)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide.

Molecular Properties

• Compound Name: 2-(4-bromophenyl)-N-[(E)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
• PubChem CID: 19061644
• Molecular Formula: C27H23BrN2O2
• Molecular Weight: 487.40 g/mol
• Exact Mass: 486.09
• IUPAC Name: 2-(4-bromophenyl)-N-[(E)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
• SMILES: Cc1ccc(COc2ccc3ccccc3c2/C=N/NC(=O)Cc2ccc(Br)cc2)cc1
• InChI: InChI=1S/C27H23BrN2O2/c1-19-6-8-21(9-7-19)18-32-26-15-12-22-4-2-3-5-24(22)25(26)17-29-30-27(31)16-20-10-13-23(28)14-11-20/h2-15,17H,16,18H2,1H3,(H,30,31)/b29-17+
• InChIKey: XCYFIUFWXHHMAD-STBIYBPSSA-N
• XLogP: 6.18
• TPSA: 50.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.40
LogP ≤ 5	6.18
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 2-(4-bromophenyl)-N-[(E)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide?

The IUPAC name of 2-(4-bromophenyl)-N-[(E)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide (CID 19061644) is 2-(4-bromophenyl)-N-[(E)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide.

What is the SMILES notation for 2-(4-bromophenyl)-N-[(E)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide?

The canonical SMILES for 2-(4-bromophenyl)-N-[(E)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide is Cc1ccc(COc2ccc3ccccc3c2/C=N/NC(=O)Cc2ccc(Br)cc2)cc1.

What is the InChIKey of 2-(4-bromophenyl)-N-[(E)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide?

The InChIKey is XCYFIUFWXHHMAD-STBIYBPSSA-N. The full InChI is InChI=1S/C27H23BrN2O2/c1-19-6-8-21(9-7-19)18-32-26-15-12-22-4-2-3-5-24(22)25(26)17-29-30-27(31)16-20-10-13-23(28)14-11-20/h2-15,17H,16,18H2,1H3,(H,30,31)/b29-17+.

What are the key properties of 2-(4-bromophenyl)-N-[(E)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide?

2-(4-bromophenyl)-N-[(E)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide has a molecular weight of 487.40 g/mol, XLogP of 6.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-bromophenyl)-N-[(E)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide is sourced from PubChem (CID 19061644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).