2-bromo-N,N-dimethylpropanamide

C5H10BrNO — CID 11367348

IUPAC2-bromo-N,N-dimethylpropanamide
SMILESCC(Br)C(=O)N(C)C
InChIInChI=1S/C5H10BrNO/c1-4(6)5(8)7(2)3/h4H,1-3H3
InChIKeyZEDHSSVDQTYBRV-UHFFFAOYSA-N
MW180.04 g/mol
LogP0.86
Rot. Bonds1

About 2-bromo-N,N-dimethylpropanamide

2-bromo-N,N-dimethylpropanamide (PubChem CID 11367348) has the molecular formula C5H10BrNO and a molecular weight of 180.04 g/mol. Its IUPAC name is 2-bromo-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-bromo-N,N-dimethylpropanamide
PubChem CID11367348
Molecular FormulaC5H10BrNO
Molecular Weight180.04 g/mol
Exact Mass178.99
IUPAC Name2-bromo-N,N-dimethylpropanamide
SMILESCC(Br)C(=O)N(C)C
InChIInChI=1S/C5H10BrNO/c1-4(6)5(8)7(2)3/h4H,1-3H3
InChIKeyZEDHSSVDQTYBRV-UHFFFAOYSA-N
XLogP0.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.04
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-bromo-N,N-dimethylpropanamide?
The IUPAC name of 2-bromo-N,N-dimethylpropanamide (CID 11367348) is 2-bromo-N,N-dimethylpropanamide.
What is the SMILES notation for 2-bromo-N,N-dimethylpropanamide?
The canonical SMILES for 2-bromo-N,N-dimethylpropanamide is CC(Br)C(=O)N(C)C.
What is the InChIKey of 2-bromo-N,N-dimethylpropanamide?
The InChIKey is ZEDHSSVDQTYBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BrNO/c1-4(6)5(8)7(2)3/h4H,1-3H3.
What are the key properties of 2-bromo-N,N-dimethylpropanamide?
2-bromo-N,N-dimethylpropanamide has a molecular weight of 180.04 g/mol, XLogP of 0.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,N-dimethylpropanamide is sourced from PubChem (CID 11367348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).