N-[1-(bromomethyl)cyclohexyl]-2,4,6-trimethylbenzamide

C17H24BrNO — CID 114314026

IUPACN-[1-(bromomethyl)cyclohexyl]-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)NC2(CBr)CCCCC2)c(C)c1
InChIInChI=1S/C17H24BrNO/c1-12-9-13(2)15(14(3)10-12)16(20)19-17(11-18)7-5-4-6-8-17/h9-10H,4-8,11H2,1-3H3,(H,19,20)
InChIKeyLSKYGQQSQXMGHA-UHFFFAOYSA-N
MW338.29 g/mol
LogP4.44
Rot. Bonds3

About N-[1-(bromomethyl)cyclohexyl]-2,4,6-trimethylbenzamide

N-[1-(bromomethyl)cyclohexyl]-2,4,6-trimethylbenzamide (PubChem CID 114314026) has the molecular formula C17H24BrNO and a molecular weight of 338.29 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclohexyl]-2,4,6-trimethylbenzamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclohexyl]-2,4,6-trimethylbenzamide
PubChem CID114314026
Molecular FormulaC17H24BrNO
Molecular Weight338.29 g/mol
Exact Mass337.10
IUPAC NameN-[1-(bromomethyl)cyclohexyl]-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)NC2(CBr)CCCCC2)c(C)c1
InChIInChI=1S/C17H24BrNO/c1-12-9-13(2)15(14(3)10-12)16(20)19-17(11-18)7-5-4-6-8-17/h9-10H,4-8,11H2,1-3H3,(H,19,20)
InChIKeyLSKYGQQSQXMGHA-UHFFFAOYSA-N
XLogP4.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[1-(bromomethyl)cyclohexyl]-2,4,6-trimethylbenzamide 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-[1-(bromomethyl)cyclopentyl]-2,4-dimethylbenzamide
CID 114311355
1-[(2,4,6-trimethylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43341207
N-[1-(bromomethyl)cyclopentyl]-5-chloro-2-methylbenzamide
CID 82890509
N-(1-carbamothioylcyclohexyl)-2,4,6-trimethylbenzamide
CID 61119533
N-[1-(bromomethyl)cyclohexyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 113275504
3,5-dibromo-N-[1-(bromomethyl)cyclopentyl]benzamide
CID 107975111
N-[1-(chloromethyl)-4-methylcyclohexyl]-2,4,6-trimethylbenzamide
CID 114304211
N-[1-(bromomethyl)cyclopentyl]-3-chloro-4-methylthiophene-2-carboxamide
CID 103406064
4-bromo-N-[1-(bromomethyl)cyclohexyl]-2-chlorobenzamide
CID 113275517
N-[1-(bromomethyl)cyclopentyl]-4-hydroxybenzamide
CID 114311351
N-[1-(bromomethyl)cyclopentyl]-5-methyl-2-nitrobenzamide
CID 114311439
N-[1-(bromomethyl)cyclopentyl]-2-methyl-4-nitrobenzamide
CID 114311554

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)cyclohexyl]-2,4,6-trimethylbenzamide?
The IUPAC name of N-[1-(bromomethyl)cyclohexyl]-2,4,6-trimethylbenzamide (CID 114314026) is N-[1-(bromomethyl)cyclohexyl]-2,4,6-trimethylbenzamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclohexyl]-2,4,6-trimethylbenzamide?
The canonical SMILES for N-[1-(bromomethyl)cyclohexyl]-2,4,6-trimethylbenzamide is Cc1cc(C)c(C(=O)NC2(CBr)CCCCC2)c(C)c1.
What is the InChIKey of N-[1-(bromomethyl)cyclohexyl]-2,4,6-trimethylbenzamide?
The InChIKey is LSKYGQQSQXMGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO/c1-12-9-13(2)15(14(3)10-12)16(20)19-17(11-18)7-5-4-6-8-17/h9-10H,4-8,11H2,1-3H3,(H,19,20).
What are the key properties of N-[1-(bromomethyl)cyclohexyl]-2,4,6-trimethylbenzamide?
N-[1-(bromomethyl)cyclohexyl]-2,4,6-trimethylbenzamide has a molecular weight of 338.29 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)cyclohexyl]-2,4,6-trimethylbenzamide is sourced from PubChem (CID 114314026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).