N-benzyl-2-bromo-N-cyclohex-2-en-1-ylacetamide

C15H18BrNO — CID 10870546

IUPACN-benzyl-2-bromo-N-cyclohex-2-en-1-ylacetamide
SMILESO=C(CBr)N(Cc1ccccc1)C1C=CCCC1
InChIInChI=1S/C15H18BrNO/c16-11-15(18)17(14-9-5-2-6-10-14)12-13-7-3-1-4-8-13/h1,3-5,7-9,14H,2,6,10-12H2
InChIKeyCMWYUEPDMBVLEB-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.52
Rot. Bonds4

About N-benzyl-2-bromo-N-cyclohex-2-en-1-ylacetamide

N-benzyl-2-bromo-N-cyclohex-2-en-1-ylacetamide (PubChem CID 10870546) has the molecular formula C15H18BrNO and a molecular weight of 308.22 g/mol. Its IUPAC name is N-benzyl-2-bromo-N-cyclohex-2-en-1-ylacetamide.

Molecular Properties

Compound NameN-benzyl-2-bromo-N-cyclohex-2-en-1-ylacetamide
PubChem CID10870546
Molecular FormulaC15H18BrNO
Molecular Weight308.22 g/mol
Exact Mass307.06
IUPAC NameN-benzyl-2-bromo-N-cyclohex-2-en-1-ylacetamide
SMILESO=C(CBr)N(Cc1ccccc1)C1C=CCCC1
InChIInChI=1S/C15H18BrNO/c16-11-15(18)17(14-9-5-2-6-10-14)12-13-7-3-1-4-8-13/h1,3-5,7-9,14H,2,6,10-12H2
InChIKeyCMWYUEPDMBVLEB-UHFFFAOYSA-N
XLogP3.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-bromo-N-cyclohex-2-en-1-ylacetamide?
The IUPAC name of N-benzyl-2-bromo-N-cyclohex-2-en-1-ylacetamide (CID 10870546) is N-benzyl-2-bromo-N-cyclohex-2-en-1-ylacetamide.
What is the SMILES notation for N-benzyl-2-bromo-N-cyclohex-2-en-1-ylacetamide?
The canonical SMILES for N-benzyl-2-bromo-N-cyclohex-2-en-1-ylacetamide is O=C(CBr)N(Cc1ccccc1)C1C=CCCC1.
What is the InChIKey of N-benzyl-2-bromo-N-cyclohex-2-en-1-ylacetamide?
The InChIKey is CMWYUEPDMBVLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO/c16-11-15(18)17(14-9-5-2-6-10-14)12-13-7-3-1-4-8-13/h1,3-5,7-9,14H,2,6,10-12H2.
What are the key properties of N-benzyl-2-bromo-N-cyclohex-2-en-1-ylacetamide?
N-benzyl-2-bromo-N-cyclohex-2-en-1-ylacetamide has a molecular weight of 308.22 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-bromo-N-cyclohex-2-en-1-ylacetamide is sourced from PubChem (CID 10870546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).