2-bromo-N-(2-methylpropoxy)acetamide

C6H12BrNO2 — CID 82715331

IUPAC2-bromo-N-(2-methylpropoxy)acetamide
SMILESCC(C)CONC(=O)CBr
InChIInChI=1S/C6H12BrNO2/c1-5(2)4-10-8-6(9)3-7/h5H,3-4H2,1-2H3,(H,8,9)
InChIKeyPDGMEBVGNWNBDQ-UHFFFAOYSA-N
MW210.07 g/mol
LogP1.09
Rot. Bonds4

About 2-bromo-N-(2-methylpropoxy)acetamide

2-bromo-N-(2-methylpropoxy)acetamide (PubChem CID 82715331) has the molecular formula C6H12BrNO2 and a molecular weight of 210.07 g/mol. Its IUPAC name is 2-bromo-N-(2-methylpropoxy)acetamide.

Molecular Properties

Compound Name2-bromo-N-(2-methylpropoxy)acetamide
PubChem CID82715331
Molecular FormulaC6H12BrNO2
Molecular Weight210.07 g/mol
Exact Mass209.01
IUPAC Name2-bromo-N-(2-methylpropoxy)acetamide
SMILESCC(C)CONC(=O)CBr
InChIInChI=1S/C6H12BrNO2/c1-5(2)4-10-8-6(9)3-7/h5H,3-4H2,1-2H3,(H,8,9)
InChIKeyPDGMEBVGNWNBDQ-UHFFFAOYSA-N
XLogP1.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.07
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methylpropoxy)acetamide?
The IUPAC name of 2-bromo-N-(2-methylpropoxy)acetamide (CID 82715331) is 2-bromo-N-(2-methylpropoxy)acetamide.
What is the SMILES notation for 2-bromo-N-(2-methylpropoxy)acetamide?
The canonical SMILES for 2-bromo-N-(2-methylpropoxy)acetamide is CC(C)CONC(=O)CBr.
What is the InChIKey of 2-bromo-N-(2-methylpropoxy)acetamide?
The InChIKey is PDGMEBVGNWNBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12BrNO2/c1-5(2)4-10-8-6(9)3-7/h5H,3-4H2,1-2H3,(H,8,9).
What are the key properties of 2-bromo-N-(2-methylpropoxy)acetamide?
2-bromo-N-(2-methylpropoxy)acetamide has a molecular weight of 210.07 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-methylpropoxy)acetamide is sourced from PubChem (CID 82715331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).