2-bromo-N,N-dibutylacetamide

C10H20BrNO — CID 3016161

IUPAC2-bromo-N,N-dibutylacetamide
SMILESCCCCN(CCCC)C(=O)CBr
InChIInChI=1S/C10H20BrNO/c1-3-5-7-12(8-6-4-2)10(13)9-11/h3-9H2,1-2H3
InChIKeyUQISDSAIAARTPX-UHFFFAOYSA-N
MW250.18 g/mol
LogP2.81
Rot. Bonds7

About 2-bromo-N,N-dibutylacetamide

2-bromo-N,N-dibutylacetamide (PubChem CID 3016161) has the molecular formula C10H20BrNO and a molecular weight of 250.18 g/mol. Its IUPAC name is 2-bromo-N,N-dibutylacetamide.

Molecular Properties

Compound Name2-bromo-N,N-dibutylacetamide
PubChem CID3016161
Molecular FormulaC10H20BrNO
Molecular Weight250.18 g/mol
Exact Mass249.07
IUPAC Name2-bromo-N,N-dibutylacetamide
SMILESCCCCN(CCCC)C(=O)CBr
InChIInChI=1S/C10H20BrNO/c1-3-5-7-12(8-6-4-2)10(13)9-11/h3-9H2,1-2H3
InChIKeyUQISDSAIAARTPX-UHFFFAOYSA-N
XLogP2.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 52.81
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-dibutylacetamide?
The IUPAC name of 2-bromo-N,N-dibutylacetamide (CID 3016161) is 2-bromo-N,N-dibutylacetamide.
What is the SMILES notation for 2-bromo-N,N-dibutylacetamide?
The canonical SMILES for 2-bromo-N,N-dibutylacetamide is CCCCN(CCCC)C(=O)CBr.
What is the InChIKey of 2-bromo-N,N-dibutylacetamide?
The InChIKey is UQISDSAIAARTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO/c1-3-5-7-12(8-6-4-2)10(13)9-11/h3-9H2,1-2H3.
What are the key properties of 2-bromo-N,N-dibutylacetamide?
2-bromo-N,N-dibutylacetamide has a molecular weight of 250.18 g/mol, XLogP of 2.81, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,N-dibutylacetamide is sourced from PubChem (CID 3016161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).