N-(2-bromoethyl)-N-cyclohexyl-2-(2-methylphenyl)acetamide

C17H24BrNO — CID 80659112

IUPACN-(2-bromoethyl)-N-cyclohexyl-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)N(CCBr)C1CCCCC1
InChIInChI=1S/C17H24BrNO/c1-14-7-5-6-8-15(14)13-17(20)19(12-11-18)16-9-3-2-4-10-16/h5-8,16H,2-4,9-13H2,1H3
InChIKeyFNQHNDITUBLYCC-UHFFFAOYSA-N
MW338.29 g/mol
LogP4.09
Rot. Bonds5

About N-(2-bromoethyl)-N-cyclohexyl-2-(2-methylphenyl)acetamide

N-(2-bromoethyl)-N-cyclohexyl-2-(2-methylphenyl)acetamide (PubChem CID 80659112) has the molecular formula C17H24BrNO and a molecular weight of 338.29 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclohexyl-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclohexyl-2-(2-methylphenyl)acetamide
PubChem CID80659112
Molecular FormulaC17H24BrNO
Molecular Weight338.29 g/mol
Exact Mass337.10
IUPAC NameN-(2-bromoethyl)-N-cyclohexyl-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)N(CCBr)C1CCCCC1
InChIInChI=1S/C17H24BrNO/c1-14-7-5-6-8-15(14)13-17(20)19(12-11-18)16-9-3-2-4-10-16/h5-8,16H,2-4,9-13H2,1H3
InChIKeyFNQHNDITUBLYCC-UHFFFAOYSA-N
XLogP4.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-bromoethyl)-N-cyclohexyl-2-(2-methylphenyl)acetamide 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-cyclopentyl-N-(2-hydroxyethyl)-2-(2-methylphenyl)acetamide
CID 54994021
N-(2-bromoethyl)-N-cyclohexyl-2-(2-fluorophenyl)acetamide
CID 80659219
N-(2-bromoethyl)-N-cyclohexyl-2-phenylacetamide
CID 80658910
2-[cyclopentyl-[2-(2-methylphenyl)acetyl]amino]acetic acid
CID 60827106
N-(2-bromoethyl)-N-cyclopentyl-2-methylbenzamide
CID 80658813
N-(2-bromoethyl)-N-cyclohexyl-2-(3-methylphenyl)acetamide
CID 80659704
N-(2-bromoethyl)-N-cyclopentyl-2-(4-methylphenyl)acetamide
CID 80659780
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-2-(2-methylphenyl)acetamide
CID 54996507
N-[2-[acetyl(cyclohexyl)amino]ethyl]-2-(2-methylphenyl)acetamide
CID 113052961
N-(2-aminoethyl)-N-cyclohexyl-2-(2-hydroxyphenyl)acetamide
CID 80740387
N-(2-bromoethyl)-N-cyclohexyl-2-(3,4-dichlorophenyl)acetamide
CID 80652853
N-cyclopropyl-2-(2-methylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 110716174

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclohexyl-2-(2-methylphenyl)acetamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclohexyl-2-(2-methylphenyl)acetamide (CID 80659112) is N-(2-bromoethyl)-N-cyclohexyl-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclohexyl-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclohexyl-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)N(CCBr)C1CCCCC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclohexyl-2-(2-methylphenyl)acetamide?
The InChIKey is FNQHNDITUBLYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO/c1-14-7-5-6-8-15(14)13-17(20)19(12-11-18)16-9-3-2-4-10-16/h5-8,16H,2-4,9-13H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-cyclohexyl-2-(2-methylphenyl)acetamide?
N-(2-bromoethyl)-N-cyclohexyl-2-(2-methylphenyl)acetamide has a molecular weight of 338.29 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclohexyl-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 80659112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).