2-bromo-N-[2-(hydroxymethyl)cyclohexyl]butanamide

C11H20BrNO2 — CID 106359886

IUPAC2-bromo-N-[2-(hydroxymethyl)cyclohexyl]butanamide
SMILESCCC(Br)C(=O)NC1CCCCC1CO
InChIInChI=1S/C11H20BrNO2/c1-2-9(12)11(15)13-10-6-4-3-5-8(10)7-14/h8-10,14H,2-7H2,1H3,(H,13,15)
InChIKeyABESPICZHOLLIK-UHFFFAOYSA-N
MW278.19 g/mol
LogP1.83
Rot. Bonds4

About 2-bromo-N-[2-(hydroxymethyl)cyclohexyl]butanamide

2-bromo-N-[2-(hydroxymethyl)cyclohexyl]butanamide (PubChem CID 106359886) has the molecular formula C11H20BrNO2 and a molecular weight of 278.19 g/mol. Its IUPAC name is 2-bromo-N-[2-(hydroxymethyl)cyclohexyl]butanamide.

Molecular Properties

Compound Name2-bromo-N-[2-(hydroxymethyl)cyclohexyl]butanamide
PubChem CID106359886
Molecular FormulaC11H20BrNO2
Molecular Weight278.19 g/mol
Exact Mass277.07
IUPAC Name2-bromo-N-[2-(hydroxymethyl)cyclohexyl]butanamide
SMILESCCC(Br)C(=O)NC1CCCCC1CO
InChIInChI=1S/C11H20BrNO2/c1-2-9(12)11(15)13-10-6-4-3-5-8(10)7-14/h8-10,14H,2-7H2,1H3,(H,13,15)
InChIKeyABESPICZHOLLIK-UHFFFAOYSA-N
XLogP1.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[2-(hydroxymethyl)cyclohexyl]butanamide?
The IUPAC name of 2-bromo-N-[2-(hydroxymethyl)cyclohexyl]butanamide (CID 106359886) is 2-bromo-N-[2-(hydroxymethyl)cyclohexyl]butanamide.
What is the SMILES notation for 2-bromo-N-[2-(hydroxymethyl)cyclohexyl]butanamide?
The canonical SMILES for 2-bromo-N-[2-(hydroxymethyl)cyclohexyl]butanamide is CCC(Br)C(=O)NC1CCCCC1CO.
What is the InChIKey of 2-bromo-N-[2-(hydroxymethyl)cyclohexyl]butanamide?
The InChIKey is ABESPICZHOLLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO2/c1-2-9(12)11(15)13-10-6-4-3-5-8(10)7-14/h8-10,14H,2-7H2,1H3,(H,13,15).
What are the key properties of 2-bromo-N-[2-(hydroxymethyl)cyclohexyl]butanamide?
2-bromo-N-[2-(hydroxymethyl)cyclohexyl]butanamide has a molecular weight of 278.19 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(hydroxymethyl)cyclohexyl]butanamide is sourced from PubChem (CID 106359886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).