N-benzyl-2-bromo-3-methoxypropanamide

C11H14BrNO2 — CID 67361339

IUPACN-benzyl-2-bromo-3-methoxypropanamide
SMILESCOCC(Br)C(=O)NCc1ccccc1
InChIInChI=1S/C11H14BrNO2/c1-15-8-10(12)11(14)13-7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,13,14)
InChIKeyZNDWHVGHGXQGDS-UHFFFAOYSA-N
MW272.14 g/mol
LogP1.71
Rot. Bonds5

About N-benzyl-2-bromo-3-methoxypropanamide

N-benzyl-2-bromo-3-methoxypropanamide (PubChem CID 67361339) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is N-benzyl-2-bromo-3-methoxypropanamide.

Molecular Properties

Compound NameN-benzyl-2-bromo-3-methoxypropanamide
PubChem CID67361339
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC NameN-benzyl-2-bromo-3-methoxypropanamide
SMILESCOCC(Br)C(=O)NCc1ccccc1
InChIInChI=1S/C11H14BrNO2/c1-15-8-10(12)11(14)13-7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,13,14)
InChIKeyZNDWHVGHGXQGDS-UHFFFAOYSA-N
XLogP1.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-bromo-3-methoxypropanamide?
The IUPAC name of N-benzyl-2-bromo-3-methoxypropanamide (CID 67361339) is N-benzyl-2-bromo-3-methoxypropanamide.
What is the SMILES notation for N-benzyl-2-bromo-3-methoxypropanamide?
The canonical SMILES for N-benzyl-2-bromo-3-methoxypropanamide is COCC(Br)C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-bromo-3-methoxypropanamide?
The InChIKey is ZNDWHVGHGXQGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-15-8-10(12)11(14)13-7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,13,14).
What are the key properties of N-benzyl-2-bromo-3-methoxypropanamide?
N-benzyl-2-bromo-3-methoxypropanamide has a molecular weight of 272.14 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-bromo-3-methoxypropanamide is sourced from PubChem (CID 67361339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).