N-(2-bromoethyl)-N-cyclohexyl-2-phenylacetamide

C16H22BrNO — CID 80658910

IUPACN-(2-bromoethyl)-N-cyclohexyl-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N(CCBr)C1CCCCC1
InChIInChI=1S/C16H22BrNO/c17-11-12-18(15-9-5-2-6-10-15)16(19)13-14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13H2
InChIKeyWTCURSIBPFJABQ-UHFFFAOYSA-N
MW324.26 g/mol
LogP3.79
Rot. Bonds5

About N-(2-bromoethyl)-N-cyclohexyl-2-phenylacetamide

N-(2-bromoethyl)-N-cyclohexyl-2-phenylacetamide (PubChem CID 80658910) has the molecular formula C16H22BrNO and a molecular weight of 324.26 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclohexyl-2-phenylacetamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclohexyl-2-phenylacetamide
PubChem CID80658910
Molecular FormulaC16H22BrNO
Molecular Weight324.26 g/mol
Exact Mass323.09
IUPAC NameN-(2-bromoethyl)-N-cyclohexyl-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N(CCBr)C1CCCCC1
InChIInChI=1S/C16H22BrNO/c17-11-12-18(15-9-5-2-6-10-15)16(19)13-14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13H2
InChIKeyWTCURSIBPFJABQ-UHFFFAOYSA-N
XLogP3.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 53.79
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-phenylacetamide 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-bromoethyl)-N-cyclopentyl-2-(4-methylphenyl)acetamide
CID 80659780
N-(2-bromoethyl)-N-cyclohexyl-2-(3-methylphenyl)acetamide
CID 80659704
N-(2-bromoethyl)-N-cyclohexyl-2-(2-fluorophenyl)acetamide
CID 80659219
N-(2-bromoethyl)-N-cyclohexyl-2-(2-methylphenyl)acetamide
CID 80659112
2-[cyclopentyl-(2-phenylacetyl)amino]acetic acid
CID 54926378
N-(2-chloroethyl)-N-cyclopropyl-2-phenylacetamide
CID 63394434
N-(2-cyanoethyl)-N-cyclopentyl-2-phenylacetamide
CID 96664778
N-(2-bromoethyl)-N-cyclohexyl-2-(3,4-dichlorophenyl)acetamide
CID 80652853
N-(2-bromoethyl)-N-cyclopentyl-2-thiophen-3-ylacetamide
CID 80658598
N-(2-bromoethyl)-N-cyclopropyl-2-(3-hydroxyphenyl)acetamide
CID 80678119
N-(2-chloroethyl)-2-(4-chlorophenyl)-N-cyclohexylacetamide
CID 63391287
N-(2-bromoethyl)-N-cyclopentyl-2-hydroxybenzamide
CID 80659305

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclohexyl-2-phenylacetamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclohexyl-2-phenylacetamide (CID 80658910) is N-(2-bromoethyl)-N-cyclohexyl-2-phenylacetamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclohexyl-2-phenylacetamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclohexyl-2-phenylacetamide is O=C(Cc1ccccc1)N(CCBr)C1CCCCC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclohexyl-2-phenylacetamide?
The InChIKey is WTCURSIBPFJABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO/c17-11-12-18(15-9-5-2-6-10-15)16(19)13-14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13H2.
What are the key properties of N-(2-bromoethyl)-N-cyclohexyl-2-phenylacetamide?
N-(2-bromoethyl)-N-cyclohexyl-2-phenylacetamide has a molecular weight of 324.26 g/mol, XLogP of 3.79, 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-phenylacetamide is sourced from PubChem (CID 80658910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).