N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(4-methoxyphenyl)acetamide

C17H24BrNO2 — CID 114317378

IUPACN-[[2-(bromomethyl)cyclohexyl]methyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCC2CCCCC2CBr)cc1
InChIInChI=1S/C17H24BrNO2/c1-21-16-8-6-13(7-9-16)10-17(20)19-12-15-5-3-2-4-14(15)11-18/h6-9,14-15H,2-5,10-12H2,1H3,(H,19,20)
InChIKeyTXNHMGQYGKWACY-UHFFFAOYSA-N
MW354.29 g/mol
LogP3.56
Rot. Bonds6

About N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(4-methoxyphenyl)acetamide

N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 114317378) has the molecular formula C17H24BrNO2 and a molecular weight of 354.29 g/mol. Its IUPAC name is N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[[2-(bromomethyl)cyclohexyl]methyl]-2-(4-methoxyphenyl)acetamide
PubChem CID114317378
Molecular FormulaC17H24BrNO2
Molecular Weight354.29 g/mol
Exact Mass353.10
IUPAC NameN-[[2-(bromomethyl)cyclohexyl]methyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCC2CCCCC2CBr)cc1
InChIInChI=1S/C17H24BrNO2/c1-21-16-8-6-13(7-9-16)10-17(20)19-12-15-5-3-2-4-14(15)11-18/h6-9,14-15H,2-5,10-12H2,1H3,(H,19,20)
InChIKeyTXNHMGQYGKWACY-UHFFFAOYSA-N
XLogP3.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(bromomethyl)cyclohexyl]methyl]-2-hydroxy-4-methoxybenzamide
CID 114317332
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(3-bromophenyl)acetamide
CID 114317384
2-(4-methoxyphenyl)-N-[(1S,2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]cyclohexyl]acetamide
CID 1012646
N-[[2-(bromomethyl)cyclohexyl]methyl]-4-methoxythiophene-2-carboxamide
CID 114317317
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(2-chlorophenyl)acetamide
CID 114317365
N-[2-[acetyl(cyclohexyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113052939
N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113056718
N'-[2-(4-methoxyphenyl)acetyl]cyclohexanecarbohydrazide
CID 965816
N-[[2-(bromomethyl)cyclohexyl]methyl]-3-hydroxy-4-methoxybenzamide
CID 114317315
N-[(2-hydroxycyclopentyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide
CID 111471301
N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(4-ethoxyphenyl)acetamide
CID 100819568
N-(5-bromopentyl)-2-(4-methoxyphenyl)acetamide
CID 107321925

Frequently Asked Questions

What is the IUPAC name of N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(4-methoxyphenyl)acetamide (CID 114317378) is N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NCC2CCCCC2CBr)cc1.
What is the InChIKey of N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is TXNHMGQYGKWACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO2/c1-21-16-8-6-13(7-9-16)10-17(20)19-12-15-5-3-2-4-14(15)11-18/h6-9,14-15H,2-5,10-12H2,1H3,(H,19,20).
What are the key properties of N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(4-methoxyphenyl)acetamide?
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 354.29 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 114317378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).