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

C16H21BrFNO — CID 80659219

IUPACN-(2-bromoethyl)-N-cyclohexyl-2-(2-fluorophenyl)acetamide
SMILESO=C(Cc1ccccc1F)N(CCBr)C1CCCCC1
InChIInChI=1S/C16H21BrFNO/c17-10-11-19(14-7-2-1-3-8-14)16(20)12-13-6-4-5-9-15(13)18/h4-6,9,14H,1-3,7-8,10-12H2
InChIKeyMVAHDWNYYNNKNO-UHFFFAOYSA-N
MW342.25 g/mol
LogP3.92
Rot. Bonds5

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

N-(2-bromoethyl)-N-cyclohexyl-2-(2-fluorophenyl)acetamide (PubChem CID 80659219) has the molecular formula C16H21BrFNO and a molecular weight of 342.25 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclohexyl-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclohexyl-2-(2-fluorophenyl)acetamide
PubChem CID80659219
Molecular FormulaC16H21BrFNO
Molecular Weight342.25 g/mol
Exact Mass341.08
IUPAC NameN-(2-bromoethyl)-N-cyclohexyl-2-(2-fluorophenyl)acetamide
SMILESO=C(Cc1ccccc1F)N(CCBr)C1CCCCC1
InChIInChI=1S/C16H21BrFNO/c17-10-11-19(14-7-2-1-3-8-14)16(20)12-13-6-4-5-9-15(13)18/h4-6,9,14H,1-3,7-8,10-12H2
InChIKeyMVAHDWNYYNNKNO-UHFFFAOYSA-N
XLogP3.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.25
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-N-cyclobutyl-2-(2-fluorophenyl)acetamide
CID 102872699
N-(2-bromoethyl)-N-cyclohexyl-2-(2-methylphenyl)acetamide
CID 80659112
N-(2-bromoethyl)-N-cyclohexyl-2-phenylacetamide
CID 80658910
N-(3-bromopropyl)-N-cyclobutyl-2-(2,3-difluorophenyl)acetamide
CID 102872497
N-(3-aminopropyl)-N-cyclopropyl-2-(2-fluorophenyl)acetamide
CID 43136756
2-(2-fluorophenyl)-N-piperidin-3-yl-N-propylacetamide
CID 60799977
N-(2-aminoethyl)-N-cyclohexyl-2-(2-hydroxyphenyl)acetamide
CID 80740387
N-(2-aminoethyl)-N-cyclopentyl-2-(2-hydroxyphenyl)acetamide
CID 80743733
N-(2-bromoethyl)-N-cyclohexyl-2-(3-methylphenyl)acetamide
CID 80659704
N-(2-bromoethyl)-N-cyclopentyl-2-(4-methylphenyl)acetamide
CID 80659780
N-(2-bromoethyl)-N-cyclohexyl-2-(3,4-dichlorophenyl)acetamide
CID 80652853
N-(2-bromoethyl)-N-cyclopentyl-2-thiophen-3-ylacetamide
CID 80658598

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclohexyl-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclohexyl-2-(2-fluorophenyl)acetamide (CID 80659219) is N-(2-bromoethyl)-N-cyclohexyl-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclohexyl-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclohexyl-2-(2-fluorophenyl)acetamide is O=C(Cc1ccccc1F)N(CCBr)C1CCCCC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclohexyl-2-(2-fluorophenyl)acetamide?
The InChIKey is MVAHDWNYYNNKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrFNO/c17-10-11-19(14-7-2-1-3-8-14)16(20)12-13-6-4-5-9-15(13)18/h4-6,9,14H,1-3,7-8,10-12H2.
What are the key properties of N-(2-bromoethyl)-N-cyclohexyl-2-(2-fluorophenyl)acetamide?
N-(2-bromoethyl)-N-cyclohexyl-2-(2-fluorophenyl)acetamide has a molecular weight of 342.25 g/mol, XLogP of 3.92, 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-fluorophenyl)acetamide is sourced from PubChem (CID 80659219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).