3-bromo-N-cyclopentyl-4-(2-methoxyethoxy)benzamide

C15H20BrNO3 — CID 15943284

IUPAC3-bromo-N-cyclopentyl-4-(2-methoxyethoxy)benzamide
SMILESCOCCOc1ccc(C(=O)NC2CCCC2)cc1Br
InChIInChI=1S/C15H20BrNO3/c1-19-8-9-20-14-7-6-11(10-13(14)16)15(18)17-12-4-2-3-5-12/h6-7,10,12H,2-5,8-9H2,1H3,(H,17,18)
InChIKeyHXLQDWMAYJUEOS-UHFFFAOYSA-N
MW342.23 g/mol
LogP3.15
Rot. Bonds6

About 3-bromo-N-cyclopentyl-4-(2-methoxyethoxy)benzamide

3-bromo-N-cyclopentyl-4-(2-methoxyethoxy)benzamide (PubChem CID 15943284) has the molecular formula C15H20BrNO3 and a molecular weight of 342.23 g/mol. Its IUPAC name is 3-bromo-N-cyclopentyl-4-(2-methoxyethoxy)benzamide.

Molecular Properties

Compound Name3-bromo-N-cyclopentyl-4-(2-methoxyethoxy)benzamide
PubChem CID15943284
Molecular FormulaC15H20BrNO3
Molecular Weight342.23 g/mol
Exact Mass341.06
IUPAC Name3-bromo-N-cyclopentyl-4-(2-methoxyethoxy)benzamide
SMILESCOCCOc1ccc(C(=O)NC2CCCC2)cc1Br
InChIInChI=1S/C15H20BrNO3/c1-19-8-9-20-14-7-6-11(10-13(14)16)15(18)17-12-4-2-3-5-12/h6-7,10,12H,2-5,8-9H2,1H3,(H,17,18)
InChIKeyHXLQDWMAYJUEOS-UHFFFAOYSA-N
XLogP3.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-bromo-N-cyclopentyl-4-(2-methoxyethoxy)benzamide 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

3-bromo-N-cyclohexyl-4-propoxybenzamide
CID 17342733
3-bromo-4-(2-methoxyethoxy)-N-methylbenzamide
CID 15943150
3-bromo-N-cyclohexyl-4-(piperidin-4-ylmethoxy)benzamide
CID 67803204
3-bromo-N-(cyclopentylcarbamothioyl)-4-(3-methylbutoxy)benzamide
CID 17339762
N-[4-[[[3-bromo-4-(2-methoxyethoxy)benzoyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide
CID 17356671
3-bromo-4-chloro-N-cycloheptylbenzamide
CID 107999241
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
3-[(3-bromo-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63044376
3-chloro-N-cyclohexyl-4-methoxybenzamide
CID 56923251
3-bromo-4-methoxy-N-(1-oxothian-4-yl)benzamide
CID 113429210
1-[3-bromo-4-(2-methoxyethoxy)phenyl]-2-cyclopropylpropan-1-one
CID 104657118
N-cyclohexyl-3,4-diethoxybenzamide
CID 917356

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclopentyl-4-(2-methoxyethoxy)benzamide?
The IUPAC name of 3-bromo-N-cyclopentyl-4-(2-methoxyethoxy)benzamide (CID 15943284) is 3-bromo-N-cyclopentyl-4-(2-methoxyethoxy)benzamide.
What is the SMILES notation for 3-bromo-N-cyclopentyl-4-(2-methoxyethoxy)benzamide?
The canonical SMILES for 3-bromo-N-cyclopentyl-4-(2-methoxyethoxy)benzamide is COCCOc1ccc(C(=O)NC2CCCC2)cc1Br.
What is the InChIKey of 3-bromo-N-cyclopentyl-4-(2-methoxyethoxy)benzamide?
The InChIKey is HXLQDWMAYJUEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO3/c1-19-8-9-20-14-7-6-11(10-13(14)16)15(18)17-12-4-2-3-5-12/h6-7,10,12H,2-5,8-9H2,1H3,(H,17,18).
What are the key properties of 3-bromo-N-cyclopentyl-4-(2-methoxyethoxy)benzamide?
3-bromo-N-cyclopentyl-4-(2-methoxyethoxy)benzamide has a molecular weight of 342.23 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cyclopentyl-4-(2-methoxyethoxy)benzamide is sourced from PubChem (CID 15943284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).