2,4-dibromo-N-prop-2-ynylbutanamide

C7H9Br2NO — CID 10636678

IUPAC2,4-dibromo-N-prop-2-ynylbutanamide
SMILESC#CCNC(=O)C(Br)CCBr
InChIInChI=1S/C7H9Br2NO/c1-2-5-10-7(11)6(9)3-4-8/h1,6H,3-5H2,(H,10,11)
InChIKeyAXVDLVFFEODGGZ-UHFFFAOYSA-N
MW282.96 g/mol
LogP1.28
Rot. Bonds4

About 2,4-dibromo-N-prop-2-ynylbutanamide

2,4-dibromo-N-prop-2-ynylbutanamide (PubChem CID 10636678) has the molecular formula C7H9Br2NO and a molecular weight of 282.96 g/mol. Its IUPAC name is 2,4-dibromo-N-prop-2-ynylbutanamide.

Molecular Properties

Compound Name2,4-dibromo-N-prop-2-ynylbutanamide
PubChem CID10636678
Molecular FormulaC7H9Br2NO
Molecular Weight282.96 g/mol
Exact Mass280.91
IUPAC Name2,4-dibromo-N-prop-2-ynylbutanamide
SMILESC#CCNC(=O)C(Br)CCBr
InChIInChI=1S/C7H9Br2NO/c1-2-5-10-7(11)6(9)3-4-8/h1,6H,3-5H2,(H,10,11)
InChIKeyAXVDLVFFEODGGZ-UHFFFAOYSA-N
XLogP1.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.96
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-prop-2-ynylbutanamide?
The IUPAC name of 2,4-dibromo-N-prop-2-ynylbutanamide (CID 10636678) is 2,4-dibromo-N-prop-2-ynylbutanamide.
What is the SMILES notation for 2,4-dibromo-N-prop-2-ynylbutanamide?
The canonical SMILES for 2,4-dibromo-N-prop-2-ynylbutanamide is C#CCNC(=O)C(Br)CCBr.
What is the InChIKey of 2,4-dibromo-N-prop-2-ynylbutanamide?
The InChIKey is AXVDLVFFEODGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Br2NO/c1-2-5-10-7(11)6(9)3-4-8/h1,6H,3-5H2,(H,10,11).
What are the key properties of 2,4-dibromo-N-prop-2-ynylbutanamide?
2,4-dibromo-N-prop-2-ynylbutanamide has a molecular weight of 282.96 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-prop-2-ynylbutanamide is sourced from PubChem (CID 10636678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).