N-(2-amino-3-hydroxybutyl)-2,3-dichlorobenzamide

C₁₁H₁₄Cl₂N₂O₂ — CID 64539557

About N-(2-amino-3-hydroxybutyl)-2,3-dichlorobenzamide

N-(2-amino-3-hydroxybutyl)-2,3-dichlorobenzamide (PubChem CID 64539557) has the molecular formula C₁₁H₁₄Cl₂N₂O₂ and a molecular weight of 277.15 g/mol. Its IUPAC name is N-(2-amino-3-hydroxybutyl)-2,3-dichlorobenzamide.

Molecular Properties

• Compound Name: N-(2-amino-3-hydroxybutyl)-2,3-dichlorobenzamide
• PubChem CID: 64539557
• Molecular Formula: C₁₁H₁₄Cl₂N₂O₂
• Molecular Weight: 277.15 g/mol
• Exact Mass: 276.04
• IUPAC Name: N-(2-amino-3-hydroxybutyl)-2,3-dichlorobenzamide
• SMILES: CC(O)C(N)CNC(=O)c1cccc(Cl)c1Cl
• InChI: InChI=1S/C11H14Cl2N2O2/c1-6(16)9(14)5-15-11(17)7-3-2-4-8(12)10(7)13/h2-4,6,9,16H,5,14H2,1H3,(H,15,17)
• InChIKey: BJMGMZNWIQKKSV-UHFFFAOYSA-N
• XLogP: 1.43
• TPSA: 75.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	277.15
LogP ≤ 5	1.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-hydroxybutyl)-2,3-dichlorobenzamide?

The IUPAC name of N-(2-amino-3-hydroxybutyl)-2,3-dichlorobenzamide (CID 64539557) is N-(2-amino-3-hydroxybutyl)-2,3-dichlorobenzamide.

What is the SMILES notation for N-(2-amino-3-hydroxybutyl)-2,3-dichlorobenzamide?

The canonical SMILES for N-(2-amino-3-hydroxybutyl)-2,3-dichlorobenzamide is CC(O)C(N)CNC(=O)c1cccc(Cl)c1Cl.

What is the InChIKey of N-(2-amino-3-hydroxybutyl)-2,3-dichlorobenzamide?

The InChIKey is BJMGMZNWIQKKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2/c1-6(16)9(14)5-15-11(17)7-3-2-4-8(12)10(7)13/h2-4,6,9,16H,5,14H2,1H3,(H,15,17).

What are the key properties of N-(2-amino-3-hydroxybutyl)-2,3-dichlorobenzamide?

N-(2-amino-3-hydroxybutyl)-2,3-dichlorobenzamide has a molecular weight of 277.15 g/mol, XLogP of 1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-amino-3-hydroxybutyl)-2,3-dichlorobenzamide is sourced from PubChem (CID 64539557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 64539557 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.