N-(2-bromoethyl)-N-cyclohexyl-2-(3-methylphenyl)acetamide

C17H24BrNO — CID 80659704

IUPACN-(2-bromoethyl)-N-cyclohexyl-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)N(CCBr)C2CCCCC2)c1
InChIInChI=1S/C17H24BrNO/c1-14-6-5-7-15(12-14)13-17(20)19(11-10-18)16-8-3-2-4-9-16/h5-7,12,16H,2-4,8-11,13H2,1H3
InChIKeyNSGVFZZNQJWGOT-UHFFFAOYSA-N
MW338.29 g/mol
LogP4.09
Rot. Bonds5

About N-(2-bromoethyl)-N-cyclohexyl-2-(3-methylphenyl)acetamide

N-(2-bromoethyl)-N-cyclohexyl-2-(3-methylphenyl)acetamide (PubChem CID 80659704) has the molecular formula C17H24BrNO and a molecular weight of 338.29 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclohexyl-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclohexyl-2-(3-methylphenyl)acetamide
PubChem CID80659704
Molecular FormulaC17H24BrNO
Molecular Weight338.29 g/mol
Exact Mass337.10
IUPAC NameN-(2-bromoethyl)-N-cyclohexyl-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)N(CCBr)C2CCCCC2)c1
InChIInChI=1S/C17H24BrNO/c1-14-6-5-7-15(12-14)13-17(20)19(11-10-18)16-8-3-2-4-9-16/h5-7,12,16H,2-4,8-11,13H2,1H3
InChIKeyNSGVFZZNQJWGOT-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'}

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Related Compounds

N-(2-aminoethyl)-N-cyclopentyl-2-(3-methylphenyl)acetamide
CID 63754808
N-(2-bromoethyl)-N-cyclohexyl-2-phenylacetamide
CID 80658910
N-(2-bromoethyl)-N-cyclopentyl-2-(4-methylphenyl)acetamide
CID 80659780
N-(2-bromoethyl)-N-cyclopropyl-2-(3-hydroxyphenyl)acetamide
CID 80678119
N-(2-bromoethyl)-N-cyclohexyl-2-(3,4-dichlorophenyl)acetamide
CID 80652853
N-(2-bromoethyl)-N-cyclohexyl-2-(2-methylphenyl)acetamide
CID 80659112
2-(3-methylphenyl)-N-propyl-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 94420232
2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)acetamide
CID 90607368
N-(2-bromoethyl)-N-cyclopentyl-2-thiophen-3-ylacetamide
CID 80658598
N-(2-bromoethyl)-N-cyclohexyl-2-(2-fluorophenyl)acetamide
CID 80659219
N-cyclohexyl-2-(3-methylphenyl)acetamide
CID 6467373
N-cyclopentyl-N-ethyl-2-(3-fluorophenyl)acetamide
CID 86926971

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclohexyl-2-(3-methylphenyl)acetamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclohexyl-2-(3-methylphenyl)acetamide (CID 80659704) is N-(2-bromoethyl)-N-cyclohexyl-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclohexyl-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclohexyl-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)N(CCBr)C2CCCCC2)c1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclohexyl-2-(3-methylphenyl)acetamide?
The InChIKey is NSGVFZZNQJWGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO/c1-14-6-5-7-15(12-14)13-17(20)19(11-10-18)16-8-3-2-4-9-16/h5-7,12,16H,2-4,8-11,13H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-cyclohexyl-2-(3-methylphenyl)acetamide?
N-(2-bromoethyl)-N-cyclohexyl-2-(3-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-(3-methylphenyl)acetamide is sourced from PubChem (CID 80659704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).