N-(2-bromoethyl)-3-cyclopentylpropanamide

C10H18BrNO — CID 43133393

IUPACN-(2-bromoethyl)-3-cyclopentylpropanamide
SMILESO=C(CCC1CCCC1)NCCBr
InChIInChI=1S/C10H18BrNO/c11-7-8-12-10(13)6-5-9-3-1-2-4-9/h9H,1-8H2,(H,12,13)
InChIKeyHYUIXFIXIXTZCU-UHFFFAOYSA-N
MW248.16 g/mol
LogP2.47
Rot. Bonds5

About N-(2-bromoethyl)-3-cyclopentylpropanamide

N-(2-bromoethyl)-3-cyclopentylpropanamide (PubChem CID 43133393) has the molecular formula C10H18BrNO and a molecular weight of 248.16 g/mol. Its IUPAC name is N-(2-bromoethyl)-3-cyclopentylpropanamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-3-cyclopentylpropanamide
PubChem CID43133393
Molecular FormulaC10H18BrNO
Molecular Weight248.16 g/mol
Exact Mass247.06
IUPAC NameN-(2-bromoethyl)-3-cyclopentylpropanamide
SMILESO=C(CCC1CCCC1)NCCBr
InChIInChI=1S/C10H18BrNO/c11-7-8-12-10(13)6-5-9-3-1-2-4-9/h9H,1-8H2,(H,12,13)
InChIKeyHYUIXFIXIXTZCU-UHFFFAOYSA-N
XLogP2.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.16
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-bromoethyl)-3-cyclopentylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-3-cyclopentylpropanamide?
The IUPAC name of N-(2-bromoethyl)-3-cyclopentylpropanamide (CID 43133393) is N-(2-bromoethyl)-3-cyclopentylpropanamide.
What is the SMILES notation for N-(2-bromoethyl)-3-cyclopentylpropanamide?
The canonical SMILES for N-(2-bromoethyl)-3-cyclopentylpropanamide is O=C(CCC1CCCC1)NCCBr.
What is the InChIKey of N-(2-bromoethyl)-3-cyclopentylpropanamide?
The InChIKey is HYUIXFIXIXTZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO/c11-7-8-12-10(13)6-5-9-3-1-2-4-9/h9H,1-8H2,(H,12,13).
What are the key properties of N-(2-bromoethyl)-3-cyclopentylpropanamide?
N-(2-bromoethyl)-3-cyclopentylpropanamide has a molecular weight of 248.16 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-3-cyclopentylpropanamide is sourced from PubChem (CID 43133393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).