2-(4-bromo-3,5-dimethylphenoxy)-N-cyclopentylpropanamide

C16H22BrNO2 — CID 107723816

IUPAC2-(4-bromo-3,5-dimethylphenoxy)-N-cyclopentylpropanamide
SMILESCc1cc(OC(C)C(=O)NC2CCCC2)cc(C)c1Br
InChIInChI=1S/C16H22BrNO2/c1-10-8-14(9-11(2)15(10)17)20-12(3)16(19)18-13-6-4-5-7-13/h8-9,12-13H,4-7H2,1-3H3,(H,18,19)
InChIKeyHYBCJPBJBWFJPL-UHFFFAOYSA-N
MW340.26 g/mol
LogP3.89
Rot. Bonds4

About 2-(4-bromo-3,5-dimethylphenoxy)-N-cyclopentylpropanamide

2-(4-bromo-3,5-dimethylphenoxy)-N-cyclopentylpropanamide (PubChem CID 107723816) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylphenoxy)-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylphenoxy)-N-cyclopentylpropanamide
PubChem CID107723816
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC Name2-(4-bromo-3,5-dimethylphenoxy)-N-cyclopentylpropanamide
SMILESCc1cc(OC(C)C(=O)NC2CCCC2)cc(C)c1Br
InChIInChI=1S/C16H22BrNO2/c1-10-8-14(9-11(2)15(10)17)20-12(3)16(19)18-13-6-4-5-7-13/h8-9,12-13H,4-7H2,1-3H3,(H,18,19)
InChIKeyHYBCJPBJBWFJPL-UHFFFAOYSA-N
XLogP3.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromo-3,5-dimethylphenoxy)-N-cyclopentylpropanamide 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-(4-bromo-3,5-dimethylphenoxy)-N-cyclopropylpropanamide
CID 103520360
2-(4-bromo-3-methylphenoxy)-N-cyclohexylpropanamide
CID 83133628
2-(3-bromophenoxy)-N-cyclopentylpropanamide
CID 43082983
1-[[(2S)-2-(4-chloro-3,5-dimethylphenoxy)propanoyl]amino]-3-cyclohexylurea
CID 2206816
N-cyclododecyl-2-(3-methylphenoxy)propanamide
CID 3912808
N-cyclooctyl-2-(3-methylphenoxy)propanamide
CID 2976571
2-(3-bromo-4-fluorophenoxy)-N-cyclopentylpropanamide
CID 83233705
(2R)-N-cycloheptyl-2-phenoxypropanamide
CID 669971
(2R)-N-cyclopentyl-2-(3,4-dichlorophenoxy)propanamide
CID 2706554
(2S)-N-cyclopentyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100702405
N-cyclooctyl-2-(2,3,5-trimethylphenoxy)propanamide
CID 46771023
(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 95712610

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylphenoxy)-N-cyclopentylpropanamide?
The IUPAC name of 2-(4-bromo-3,5-dimethylphenoxy)-N-cyclopentylpropanamide (CID 107723816) is 2-(4-bromo-3,5-dimethylphenoxy)-N-cyclopentylpropanamide.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylphenoxy)-N-cyclopentylpropanamide?
The canonical SMILES for 2-(4-bromo-3,5-dimethylphenoxy)-N-cyclopentylpropanamide is Cc1cc(OC(C)C(=O)NC2CCCC2)cc(C)c1Br.
What is the InChIKey of 2-(4-bromo-3,5-dimethylphenoxy)-N-cyclopentylpropanamide?
The InChIKey is HYBCJPBJBWFJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO2/c1-10-8-14(9-11(2)15(10)17)20-12(3)16(19)18-13-6-4-5-7-13/h8-9,12-13H,4-7H2,1-3H3,(H,18,19).
What are the key properties of 2-(4-bromo-3,5-dimethylphenoxy)-N-cyclopentylpropanamide?
2-(4-bromo-3,5-dimethylphenoxy)-N-cyclopentylpropanamide has a molecular weight of 340.26 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylphenoxy)-N-cyclopentylpropanamide is sourced from PubChem (CID 107723816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).