2,4-dibromo-N-(cyclopropylmethyl)butanamide

C8H13Br2NO — CID 10804067

IUPAC2,4-dibromo-N-(cyclopropylmethyl)butanamide
SMILESO=C(NCC1CC1)C(Br)CCBr
InChIInChI=1S/C8H13Br2NO/c9-4-3-7(10)8(12)11-5-6-1-2-6/h6-7H,1-5H2,(H,11,12)
InChIKeyUNHUFBBRVQYNEA-UHFFFAOYSA-N
MW299.01 g/mol
LogP2.06
Rot. Bonds5

About 2,4-dibromo-N-(cyclopropylmethyl)butanamide

2,4-dibromo-N-(cyclopropylmethyl)butanamide (PubChem CID 10804067) has the molecular formula C8H13Br2NO and a molecular weight of 299.01 g/mol. Its IUPAC name is 2,4-dibromo-N-(cyclopropylmethyl)butanamide.

Molecular Properties

Compound Name2,4-dibromo-N-(cyclopropylmethyl)butanamide
PubChem CID10804067
Molecular FormulaC8H13Br2NO
Molecular Weight299.01 g/mol
Exact Mass296.94
IUPAC Name2,4-dibromo-N-(cyclopropylmethyl)butanamide
SMILESO=C(NCC1CC1)C(Br)CCBr
InChIInChI=1S/C8H13Br2NO/c9-4-3-7(10)8(12)11-5-6-1-2-6/h6-7H,1-5H2,(H,11,12)
InChIKeyUNHUFBBRVQYNEA-UHFFFAOYSA-N
XLogP2.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.01
LogP ≤ 52.06
H-Bond Donors ≤ 51
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 2,4-dibromo-N-(cyclopropylmethyl)butanamide?
The IUPAC name of 2,4-dibromo-N-(cyclopropylmethyl)butanamide (CID 10804067) is 2,4-dibromo-N-(cyclopropylmethyl)butanamide.
What is the SMILES notation for 2,4-dibromo-N-(cyclopropylmethyl)butanamide?
The canonical SMILES for 2,4-dibromo-N-(cyclopropylmethyl)butanamide is O=C(NCC1CC1)C(Br)CCBr.
What is the InChIKey of 2,4-dibromo-N-(cyclopropylmethyl)butanamide?
The InChIKey is UNHUFBBRVQYNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13Br2NO/c9-4-3-7(10)8(12)11-5-6-1-2-6/h6-7H,1-5H2,(H,11,12).
What are the key properties of 2,4-dibromo-N-(cyclopropylmethyl)butanamide?
2,4-dibromo-N-(cyclopropylmethyl)butanamide has a molecular weight of 299.01 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(cyclopropylmethyl)butanamide is sourced from PubChem (CID 10804067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).