3-bromo-N-(4-cyclopentyloxyphenyl)propanamide

C14H18BrNO2 — CID 113385178

IUPAC3-bromo-N-(4-cyclopentyloxyphenyl)propanamide
SMILESO=C(CCBr)Nc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C14H18BrNO2/c15-10-9-14(17)16-11-5-7-13(8-6-11)18-12-3-1-2-4-12/h5-8,12H,1-4,9-10H2,(H,16,17)
InChIKeyWFPDOQRIYBRKCF-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.73
Rot. Bonds5

About 3-bromo-N-(4-cyclopentyloxyphenyl)propanamide

3-bromo-N-(4-cyclopentyloxyphenyl)propanamide (PubChem CID 113385178) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is 3-bromo-N-(4-cyclopentyloxyphenyl)propanamide.

Molecular Properties

Compound Name3-bromo-N-(4-cyclopentyloxyphenyl)propanamide
PubChem CID113385178
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name3-bromo-N-(4-cyclopentyloxyphenyl)propanamide
SMILESO=C(CCBr)Nc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C14H18BrNO2/c15-10-9-14(17)16-11-5-7-13(8-6-11)18-12-3-1-2-4-12/h5-8,12H,1-4,9-10H2,(H,16,17)
InChIKeyWFPDOQRIYBRKCF-UHFFFAOYSA-N
XLogP3.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-bromo-N-(4-cyclopentyloxyphenyl)propanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-bromo-N-(4-cyclohexyloxyphenyl)acetamide
CID 23624715
2-chloro-N-(4-cyclopentyloxyphenyl)acetamide
CID 39356793
6-amino-N-(4-cyclopentyloxyphenyl)hexanamide
CID 43706244
N-(4-cyclopentyloxyphenyl)-4-hydroxypentanamide
CID 79200161
N-(4-cyclohexyloxyphenyl)-2-(diethylamino)acetamide;hydrochloride
CID 3026194
2-(4-cyclopentyloxyanilino)-N-phenylacetamide
CID 39998941
N-[4-(4-cyclopentyloxyanilino)-4-oxobutyl]-2,2-dimethylpropanamide
CID 36567839
N-[3-(4-cyclopentyloxyanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 46436271
N-[2-(4-cyclopentyloxyanilino)-2-oxoethyl]-4-fluorobenzamide
CID 38455253
2-hydroxyethyl N-(4-cyclopentyloxyphenyl)carbamate
CID 79346417
3-bromo-N-[4-[[4-(3-bromopropanoylamino)phenyl]methyl]phenyl]propanamide
CID 139955588
4-methyl-N-(4-piperidin-4-yloxyphenyl)pentanamide
CID 23366912

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-cyclopentyloxyphenyl)propanamide?
The IUPAC name of 3-bromo-N-(4-cyclopentyloxyphenyl)propanamide (CID 113385178) is 3-bromo-N-(4-cyclopentyloxyphenyl)propanamide.
What is the SMILES notation for 3-bromo-N-(4-cyclopentyloxyphenyl)propanamide?
The canonical SMILES for 3-bromo-N-(4-cyclopentyloxyphenyl)propanamide is O=C(CCBr)Nc1ccc(OC2CCCC2)cc1.
What is the InChIKey of 3-bromo-N-(4-cyclopentyloxyphenyl)propanamide?
The InChIKey is WFPDOQRIYBRKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c15-10-9-14(17)16-11-5-7-13(8-6-11)18-12-3-1-2-4-12/h5-8,12H,1-4,9-10H2,(H,16,17).
What are the key properties of 3-bromo-N-(4-cyclopentyloxyphenyl)propanamide?
3-bromo-N-(4-cyclopentyloxyphenyl)propanamide has a molecular weight of 312.21 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-cyclopentyloxyphenyl)propanamide is sourced from PubChem (CID 113385178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).