5-bromo-N-(2-cyclopentyl-2-hydroxyethyl)-2-methylbenzamide

C15H20BrNO2 — CID 111477730

IUPAC5-bromo-N-(2-cyclopentyl-2-hydroxyethyl)-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)NCC(O)C1CCCC1
InChIInChI=1S/C15H20BrNO2/c1-10-6-7-12(16)8-13(10)15(19)17-9-14(18)11-4-2-3-5-11/h6-8,11,14,18H,2-5,9H2,1H3,(H,17,19)
InChIKeyMPDZJIQMXXATHB-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.04
Rot. Bonds4

About 5-bromo-N-(2-cyclopentyl-2-hydroxyethyl)-2-methylbenzamide

5-bromo-N-(2-cyclopentyl-2-hydroxyethyl)-2-methylbenzamide (PubChem CID 111477730) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 5-bromo-N-(2-cyclopentyl-2-hydroxyethyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N-(2-cyclopentyl-2-hydroxyethyl)-2-methylbenzamide
PubChem CID111477730
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name5-bromo-N-(2-cyclopentyl-2-hydroxyethyl)-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)NCC(O)C1CCCC1
InChIInChI=1S/C15H20BrNO2/c1-10-6-7-12(16)8-13(10)15(19)17-9-14(18)11-4-2-3-5-11/h6-8,11,14,18H,2-5,9H2,1H3,(H,17,19)
InChIKeyMPDZJIQMXXATHB-UHFFFAOYSA-N
XLogP3.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-bromo-N-(2-cyclopentyl-2-hydroxyethyl)-2-methylbenzamide 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

N-(2-cyclopentyl-2-hydroxyethyl)-2,5-dimethylbenzamide
CID 111425732
5-bromo-2-methyl-N-(2-methylpropyl)benzamide
CID 65308117
4-bromo-N-[(2R)-2-cyclohexyl-2-hydroxyethyl]benzamide
CID 95292167
5-bromo-N-(2,2-difluoroethyl)-2-methylbenzamide
CID 79078701
5-bromo-N-(1-cyclohexylethyl)-2-methylbenzamide
CID 65309722
5-bromo-N-cyclobutyl-2-methylbenzamide
CID 65309674
N-(2-cyclopentyl-2-hydroxyethyl)-2-methylfuran-3-carboxamide
CID 111426337
N-(2-amino-3-methylbutyl)-5-bromo-2-methylbenzamide
CID 65311918
5-bromo-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 65309537
5-bromo-N-(4-bromo-2-methylbutyl)-2-methylbenzamide
CID 114316915
2-amino-N-(2-cyclohexyl-2-hydroxyethyl)benzamide
CID 119944694
5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500891

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-cyclopentyl-2-hydroxyethyl)-2-methylbenzamide?
The IUPAC name of 5-bromo-N-(2-cyclopentyl-2-hydroxyethyl)-2-methylbenzamide (CID 111477730) is 5-bromo-N-(2-cyclopentyl-2-hydroxyethyl)-2-methylbenzamide.
What is the SMILES notation for 5-bromo-N-(2-cyclopentyl-2-hydroxyethyl)-2-methylbenzamide?
The canonical SMILES for 5-bromo-N-(2-cyclopentyl-2-hydroxyethyl)-2-methylbenzamide is Cc1ccc(Br)cc1C(=O)NCC(O)C1CCCC1.
What is the InChIKey of 5-bromo-N-(2-cyclopentyl-2-hydroxyethyl)-2-methylbenzamide?
The InChIKey is MPDZJIQMXXATHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-10-6-7-12(16)8-13(10)15(19)17-9-14(18)11-4-2-3-5-11/h6-8,11,14,18H,2-5,9H2,1H3,(H,17,19).
What are the key properties of 5-bromo-N-(2-cyclopentyl-2-hydroxyethyl)-2-methylbenzamide?
5-bromo-N-(2-cyclopentyl-2-hydroxyethyl)-2-methylbenzamide has a molecular weight of 326.23 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-cyclopentyl-2-hydroxyethyl)-2-methylbenzamide is sourced from PubChem (CID 111477730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).