(2S)-N-(3-amino-4-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide

C₁₆H₁₆Cl₂N₂O₂ — CID 28867631

About (2S)-N-(3-amino-4-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide

(2S)-N-(3-amino-4-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide (PubChem CID 28867631) has the molecular formula C₁₆H₁₆Cl₂N₂O₂ and a molecular weight of 339.22 g/mol. Its IUPAC name is (2S)-N-(3-amino-4-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide.

Molecular Properties

• Compound Name: (2S)-N-(3-amino-4-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide
• PubChem CID: 28867631
• Molecular Formula: C₁₆H₁₆Cl₂N₂O₂
• Molecular Weight: 339.22 g/mol
• Exact Mass: 338.06
• IUPAC Name: (2S)-N-(3-amino-4-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide
• SMILES: Cc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1N
• InChI: InChI=1S/C16H16Cl2N2O2/c1-9-3-5-12(8-14(9)19)20-16(21)10(2)22-15-6-4-11(17)7-13(15)18/h3-8,10H,19H2,1-2H3,(H,20,21)/t10-/m0/s1
• InChIKey: LHKGGLHCSJEDFF-JTQLQIEISA-N
• XLogP: 4.29
• TPSA: 64.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.22
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-amino-4-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide?

The IUPAC name of (2S)-N-(3-amino-4-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide (CID 28867631) is (2S)-N-(3-amino-4-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide.

What is the SMILES notation for (2S)-N-(3-amino-4-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide?

The canonical SMILES for (2S)-N-(3-amino-4-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide is Cc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1N.

What is the InChIKey of (2S)-N-(3-amino-4-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide?

The InChIKey is LHKGGLHCSJEDFF-JTQLQIEISA-N. The full InChI is InChI=1S/C16H16Cl2N2O2/c1-9-3-5-12(8-14(9)19)20-16(21)10(2)22-15-6-4-11(17)7-13(15)18/h3-8,10H,19H2,1-2H3,(H,20,21)/t10-/m0/s1.

What are the key properties of (2S)-N-(3-amino-4-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide?

(2S)-N-(3-amino-4-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide has a molecular weight of 339.22 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-(3-amino-4-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide is sourced from PubChem (CID 28867631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 28867631 — identifiers, structure, computed properties (public domain)

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