2-(2-bromo-5-chloroanilino)propanamide

C₉H₁₀BrClN₂O — CID 81281042

About 2-(2-bromo-5-chloroanilino)propanamide

2-(2-bromo-5-chloroanilino)propanamide (PubChem CID 81281042) has the molecular formula C₉H₁₀BrClN₂O and a molecular weight of 277.55 g/mol. Its IUPAC name is 2-(2-bromo-5-chloroanilino)propanamide.

Molecular Properties

• Compound Name: 2-(2-bromo-5-chloroanilino)propanamide
• PubChem CID: 81281042
• Molecular Formula: C₉H₁₀BrClN₂O
• Molecular Weight: 277.55 g/mol
• Exact Mass: 275.97
• IUPAC Name: 2-(2-bromo-5-chloroanilino)propanamide
• SMILES: CC(Nc1cc(Cl)ccc1Br)C(N)=O
• InChI: InChI=1S/C9H10BrClN2O/c1-5(9(12)14)13-8-4-6(11)2-3-7(8)10/h2-5,13H,1H3,(H2,12,14)
• InChIKey: OAWIDDXQBDIREO-UHFFFAOYSA-N
• XLogP: 2.39
• TPSA: 55.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	277.55
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-chloroanilino)propanamide?

The IUPAC name of 2-(2-bromo-5-chloroanilino)propanamide (CID 81281042) is 2-(2-bromo-5-chloroanilino)propanamide.

What is the SMILES notation for 2-(2-bromo-5-chloroanilino)propanamide?

The canonical SMILES for 2-(2-bromo-5-chloroanilino)propanamide is CC(Nc1cc(Cl)ccc1Br)C(N)=O.

What is the InChIKey of 2-(2-bromo-5-chloroanilino)propanamide?

The InChIKey is OAWIDDXQBDIREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClN2O/c1-5(9(12)14)13-8-4-6(11)2-3-7(8)10/h2-5,13H,1H3,(H2,12,14).

What are the key properties of 2-(2-bromo-5-chloroanilino)propanamide?

2-(2-bromo-5-chloroanilino)propanamide has a molecular weight of 277.55 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-bromo-5-chloroanilino)propanamide is sourced from PubChem (CID 81281042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 81281042 — identifiers, structure, computed properties (public domain)

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