N-(2-bromoethyl)-N-cyclopentyl-2-(4-methylphenyl)acetamide

C16H22BrNO — CID 80659780

IUPACN-(2-bromoethyl)-N-cyclopentyl-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)N(CCBr)C2CCCC2)cc1
InChIInChI=1S/C16H22BrNO/c1-13-6-8-14(9-7-13)12-16(19)18(11-10-17)15-4-2-3-5-15/h6-9,15H,2-5,10-12H2,1H3
InChIKeyKLTXCQHUGPOUKG-UHFFFAOYSA-N
MW324.26 g/mol
LogP3.70
Rot. Bonds5

About N-(2-bromoethyl)-N-cyclopentyl-2-(4-methylphenyl)acetamide

N-(2-bromoethyl)-N-cyclopentyl-2-(4-methylphenyl)acetamide (PubChem CID 80659780) has the molecular formula C16H22BrNO and a molecular weight of 324.26 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclopentyl-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclopentyl-2-(4-methylphenyl)acetamide
PubChem CID80659780
Molecular FormulaC16H22BrNO
Molecular Weight324.26 g/mol
Exact Mass323.09
IUPAC NameN-(2-bromoethyl)-N-cyclopentyl-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)N(CCBr)C2CCCC2)cc1
InChIInChI=1S/C16H22BrNO/c1-13-6-8-14(9-7-13)12-16(19)18(11-10-17)15-4-2-3-5-15/h6-9,15H,2-5,10-12H2,1H3
InChIKeyKLTXCQHUGPOUKG-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
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-bromoethyl)-N-cyclohexyl-2-phenylacetamide
CID 80658910
N-(2-bromoethyl)-N-cyclohexyl-2-(3-methylphenyl)acetamide
CID 80659704
N-(3-chloropropyl)-N-cyclobutyl-2-(4-methylphenyl)acetamide
CID 102871873
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-cyclohexyl-2-(2-methylphenyl)acetamide
CID 80659112
2-(4-methylphenyl)-N-piperidin-3-yl-N-propylacetamide
CID 60799979
2-(4-bromophenyl)-N-(2-chloroethyl)-N-cyclobutylacetamide
CID 102872883
N-(2-chloroethyl)-N-cyclopentyl-3-(4-methylphenyl)propanamide
CID 63391778
N-(2-chloroethyl)-2-(4-chlorophenyl)-N-cyclohexylacetamide
CID 63391287
N-(2-bromoethyl)-N-cyclohexyl-2-(2-fluorophenyl)acetamide
CID 80659219
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)acetamide
CID 78814100

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclopentyl-2-(4-methylphenyl)acetamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclopentyl-2-(4-methylphenyl)acetamide (CID 80659780) is N-(2-bromoethyl)-N-cyclopentyl-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclopentyl-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclopentyl-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)N(CCBr)C2CCCC2)cc1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclopentyl-2-(4-methylphenyl)acetamide?
The InChIKey is KLTXCQHUGPOUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO/c1-13-6-8-14(9-7-13)12-16(19)18(11-10-17)15-4-2-3-5-15/h6-9,15H,2-5,10-12H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-cyclopentyl-2-(4-methylphenyl)acetamide?
N-(2-bromoethyl)-N-cyclopentyl-2-(4-methylphenyl)acetamide has a molecular weight of 324.26 g/mol, XLogP of 3.70, 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-cyclopentyl-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 80659780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).