2-bromo-N-hexylbutanamide

C10H20BrNO — CID 62854458

IUPAC2-bromo-N-hexylbutanamide
SMILESCCCCCCNC(=O)C(Br)CC
InChIInChI=1S/C10H20BrNO/c1-3-5-6-7-8-12-10(13)9(11)4-2/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyDFIDXDAHOVQKRN-UHFFFAOYSA-N
MW250.18 g/mol
LogP2.86
Rot. Bonds7

About 2-bromo-N-hexylbutanamide

2-bromo-N-hexylbutanamide (PubChem CID 62854458) has the molecular formula C10H20BrNO and a molecular weight of 250.18 g/mol. Its IUPAC name is 2-bromo-N-hexylbutanamide.

Molecular Properties

Compound Name2-bromo-N-hexylbutanamide
PubChem CID62854458
Molecular FormulaC10H20BrNO
Molecular Weight250.18 g/mol
Exact Mass249.07
IUPAC Name2-bromo-N-hexylbutanamide
SMILESCCCCCCNC(=O)C(Br)CC
InChIInChI=1S/C10H20BrNO/c1-3-5-6-7-8-12-10(13)9(11)4-2/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyDFIDXDAHOVQKRN-UHFFFAOYSA-N
XLogP2.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-hexylbutanamide?
The IUPAC name of 2-bromo-N-hexylbutanamide (CID 62854458) is 2-bromo-N-hexylbutanamide.
What is the SMILES notation for 2-bromo-N-hexylbutanamide?
The canonical SMILES for 2-bromo-N-hexylbutanamide is CCCCCCNC(=O)C(Br)CC.
What is the InChIKey of 2-bromo-N-hexylbutanamide?
The InChIKey is DFIDXDAHOVQKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO/c1-3-5-6-7-8-12-10(13)9(11)4-2/h9H,3-8H2,1-2H3,(H,12,13).
What are the key properties of 2-bromo-N-hexylbutanamide?
2-bromo-N-hexylbutanamide has a molecular weight of 250.18 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-hexylbutanamide is sourced from PubChem (CID 62854458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).