3-(4-bromo-3-methylphenyl)-N-[(2-hydroxycyclopentyl)methyl]propanamide

C16H22BrNO2 — CID 111912095

IUPAC3-(4-bromo-3-methylphenyl)-N-[(2-hydroxycyclopentyl)methyl]propanamide
SMILESCc1cc(CCC(=O)NCC2CCCC2O)ccc1Br
InChIInChI=1S/C16H22BrNO2/c1-11-9-12(5-7-14(11)17)6-8-16(20)18-10-13-3-2-4-15(13)19/h5,7,9,13,15,19H,2-4,6,8,10H2,1H3,(H,18,20)
InChIKeyKTZZYYADFHRKAU-UHFFFAOYSA-N
MW340.26 g/mol
LogP2.97
Rot. Bonds5

About 3-(4-bromo-3-methylphenyl)-N-[(2-hydroxycyclopentyl)methyl]propanamide

3-(4-bromo-3-methylphenyl)-N-[(2-hydroxycyclopentyl)methyl]propanamide (PubChem CID 111912095) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is 3-(4-bromo-3-methylphenyl)-N-[(2-hydroxycyclopentyl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-bromo-3-methylphenyl)-N-[(2-hydroxycyclopentyl)methyl]propanamide
PubChem CID111912095
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC Name3-(4-bromo-3-methylphenyl)-N-[(2-hydroxycyclopentyl)methyl]propanamide
SMILESCc1cc(CCC(=O)NCC2CCCC2O)ccc1Br
InChIInChI=1S/C16H22BrNO2/c1-11-9-12(5-7-14(11)17)6-8-16(20)18-10-13-3-2-4-15(13)19/h5,7,9,13,15,19H,2-4,6,8,10H2,1H3,(H,18,20)
InChIKeyKTZZYYADFHRKAU-UHFFFAOYSA-N
XLogP2.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(4-bromo-3-methylphenyl)-N-[(2-hydroxycyclopentyl)methyl]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

3-(4-bromo-3-methylphenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 71922603
3-(4-Bromo-3-methylphenyl)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 71975412
N-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-2-(3-propan-2-ylphenyl)acetamide
CID 137995680
3-(2-bromo-5-fluorophenyl)-N-(3-hydroxy-2-methylpropyl)propanamide
CID 75503655
4-bromo-N-[(2-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)benzamide
CID 81455468
2-bromo-N-[(2-hydroxycyclopentyl)methyl]-5-(trifluoromethyl)benzamide
CID 81598820
3-(2-bromo-5-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]propanamide
CID 86788563
3-(2-bromo-5-fluorophenyl)-N-[(2S)-3-hydroxy-2-methylpropyl]propanamide
CID 97822355
3-(2-bromo-5-fluorophenyl)-N-[(2R)-3-hydroxy-2-methylpropyl]propanamide
CID 97822356
3-(2-bromo-5-fluorophenyl)-N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]propanamide
CID 97878384
3-(2-bromo-5-fluorophenyl)-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]propanamide
CID 97878385
3-(2-bromo-5-fluorophenyl)-N-[[(1S,2R)-2-hydroxycyclopentyl]methyl]propanamide
CID 97878386

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-methylphenyl)-N-[(2-hydroxycyclopentyl)methyl]propanamide?
The IUPAC name of 3-(4-bromo-3-methylphenyl)-N-[(2-hydroxycyclopentyl)methyl]propanamide (CID 111912095) is 3-(4-bromo-3-methylphenyl)-N-[(2-hydroxycyclopentyl)methyl]propanamide.
What is the SMILES notation for 3-(4-bromo-3-methylphenyl)-N-[(2-hydroxycyclopentyl)methyl]propanamide?
The canonical SMILES for 3-(4-bromo-3-methylphenyl)-N-[(2-hydroxycyclopentyl)methyl]propanamide is Cc1cc(CCC(=O)NCC2CCCC2O)ccc1Br.
What is the InChIKey of 3-(4-bromo-3-methylphenyl)-N-[(2-hydroxycyclopentyl)methyl]propanamide?
The InChIKey is KTZZYYADFHRKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO2/c1-11-9-12(5-7-14(11)17)6-8-16(20)18-10-13-3-2-4-15(13)19/h5,7,9,13,15,19H,2-4,6,8,10H2,1H3,(H,18,20).
What are the key properties of 3-(4-bromo-3-methylphenyl)-N-[(2-hydroxycyclopentyl)methyl]propanamide?
3-(4-bromo-3-methylphenyl)-N-[(2-hydroxycyclopentyl)methyl]propanamide has a molecular weight of 340.26 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-methylphenyl)-N-[(2-hydroxycyclopentyl)methyl]propanamide is sourced from PubChem (CID 111912095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).