2-bromo-N-cyclohexyl-N-methylacetamide

C9H16BrNO — CID 10513834

IUPAC2-bromo-N-cyclohexyl-N-methylacetamide
SMILESCN(C(=O)CBr)C1CCCCC1
InChIInChI=1S/C9H16BrNO/c1-11(9(12)7-10)8-5-3-2-4-6-8/h8H,2-7H2,1H3
InChIKeyGVHBGCPNPJQNJP-UHFFFAOYSA-N
MW234.14 g/mol
LogP2.17
Rot. Bonds2

About 2-bromo-N-cyclohexyl-N-methylacetamide

2-bromo-N-cyclohexyl-N-methylacetamide (PubChem CID 10513834) has the molecular formula C9H16BrNO and a molecular weight of 234.14 g/mol. Its IUPAC name is 2-bromo-N-cyclohexyl-N-methylacetamide.

Molecular Properties

Compound Name2-bromo-N-cyclohexyl-N-methylacetamide
PubChem CID10513834
Molecular FormulaC9H16BrNO
Molecular Weight234.14 g/mol
Exact Mass233.04
IUPAC Name2-bromo-N-cyclohexyl-N-methylacetamide
SMILESCN(C(=O)CBr)C1CCCCC1
InChIInChI=1S/C9H16BrNO/c1-11(9(12)7-10)8-5-3-2-4-6-8/h8H,2-7H2,1H3
InChIKeyGVHBGCPNPJQNJP-UHFFFAOYSA-N
XLogP2.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.14
LogP ≤ 52.17
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-cyclohexyl-N-methylacetamide?
The IUPAC name of 2-bromo-N-cyclohexyl-N-methylacetamide (CID 10513834) is 2-bromo-N-cyclohexyl-N-methylacetamide.
What is the SMILES notation for 2-bromo-N-cyclohexyl-N-methylacetamide?
The canonical SMILES for 2-bromo-N-cyclohexyl-N-methylacetamide is CN(C(=O)CBr)C1CCCCC1.
What is the InChIKey of 2-bromo-N-cyclohexyl-N-methylacetamide?
The InChIKey is GVHBGCPNPJQNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrNO/c1-11(9(12)7-10)8-5-3-2-4-6-8/h8H,2-7H2,1H3.
What are the key properties of 2-bromo-N-cyclohexyl-N-methylacetamide?
2-bromo-N-cyclohexyl-N-methylacetamide has a molecular weight of 234.14 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclohexyl-N-methylacetamide is sourced from PubChem (CID 10513834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).