2-(4-chlorophenyl)-N-[(Z)-[1-[(2-methylphenyl)methyl]indol-3-yl]methylideneamino]acetamide

C25H22ClN3O — CID 126373063

About 2-(4-chlorophenyl)-N-[(Z)-[1-[(2-methylphenyl)methyl]indol-3-yl]methylideneamino]acetamide

2-(4-chlorophenyl)-N-[(Z)-[1-[(2-methylphenyl)methyl]indol-3-yl]methylideneamino]acetamide (PubChem CID 126373063) has the molecular formula C25H22ClN3O and a molecular weight of 415.92 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(Z)-[1-[(2-methylphenyl)methyl]indol-3-yl]methylideneamino]acetamide.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-N-[(Z)-[1-[(2-methylphenyl)methyl]indol-3-yl]methylideneamino]acetamide
• PubChem CID: 126373063
• Molecular Formula: C25H22ClN3O
• Molecular Weight: 415.92 g/mol
• Exact Mass: 415.15
• IUPAC Name: 2-(4-chlorophenyl)-N-[(Z)-[1-[(2-methylphenyl)methyl]indol-3-yl]methylideneamino]acetamide
• SMILES: Cc1ccccc1Cn1cc(/C=N\NC(=O)Cc2ccc(Cl)cc2)c2ccccc21
• InChI: InChI=1S/C25H22ClN3O/c1-18-6-2-3-7-20(18)16-29-17-21(23-8-4-5-9-24(23)29)15-27-28-25(30)14-19-10-12-22(26)13-11-19/h2-13,15,17H,14,16H2,1H3,(H,28,30)/b27-15-
• InChIKey: USWGDAIMFYAFOU-DICXZTSXSA-N
• XLogP: 5.34
• TPSA: 46.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	415.92
LogP ≤ 5	5.34
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-chlorophenyl)-N-[(Z)-[1-[(2-methylphenyl)methyl]indol-3-yl]methylideneamino]acetamide?

The IUPAC name of 2-(4-chlorophenyl)-N-[(Z)-[1-[(2-methylphenyl)methyl]indol-3-yl]methylideneamino]acetamide (CID 126373063) is 2-(4-chlorophenyl)-N-[(Z)-[1-[(2-methylphenyl)methyl]indol-3-yl]methylideneamino]acetamide.

What is the SMILES notation for 2-(4-chlorophenyl)-N-[(Z)-[1-[(2-methylphenyl)methyl]indol-3-yl]methylideneamino]acetamide?

The canonical SMILES for 2-(4-chlorophenyl)-N-[(Z)-[1-[(2-methylphenyl)methyl]indol-3-yl]methylideneamino]acetamide is Cc1ccccc1Cn1cc(/C=N\NC(=O)Cc2ccc(Cl)cc2)c2ccccc21.

What is the InChIKey of 2-(4-chlorophenyl)-N-[(Z)-[1-[(2-methylphenyl)methyl]indol-3-yl]methylideneamino]acetamide?

The InChIKey is USWGDAIMFYAFOU-DICXZTSXSA-N. The full InChI is InChI=1S/C25H22ClN3O/c1-18-6-2-3-7-20(18)16-29-17-21(23-8-4-5-9-24(23)29)15-27-28-25(30)14-19-10-12-22(26)13-11-19/h2-13,15,17H,14,16H2,1H3,(H,28,30)/b27-15-.

What are the key properties of 2-(4-chlorophenyl)-N-[(Z)-[1-[(2-methylphenyl)methyl]indol-3-yl]methylideneamino]acetamide?

2-(4-chlorophenyl)-N-[(Z)-[1-[(2-methylphenyl)methyl]indol-3-yl]methylideneamino]acetamide has a molecular weight of 415.92 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-N-[(Z)-[1-[(2-methylphenyl)methyl]indol-3-yl]methylideneamino]acetamide is sourced from PubChem (CID 126373063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).