4-(bromomethyl)-N-(2-tert-butylcyclohexyl)benzamide

C18H26BrNO — CID 102851083

IUPAC4-(bromomethyl)-N-(2-tert-butylcyclohexyl)benzamide
SMILESCC(C)(C)C1CCCCC1NC(=O)c1ccc(CBr)cc1
InChIInChI=1S/C18H26BrNO/c1-18(2,3)15-6-4-5-7-16(15)20-17(21)14-10-8-13(12-19)9-11-14/h8-11,15-16H,4-7,12H2,1-3H3,(H,20,21)
InChIKeyCAZRMCUXCWTQBG-UHFFFAOYSA-N
MW352.32 g/mol
LogP4.92
Rot. Bonds3

About 4-(bromomethyl)-N-(2-tert-butylcyclohexyl)benzamide

4-(bromomethyl)-N-(2-tert-butylcyclohexyl)benzamide (PubChem CID 102851083) has the molecular formula C18H26BrNO and a molecular weight of 352.32 g/mol. Its IUPAC name is 4-(bromomethyl)-N-(2-tert-butylcyclohexyl)benzamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-(2-tert-butylcyclohexyl)benzamide
PubChem CID102851083
Molecular FormulaC18H26BrNO
Molecular Weight352.32 g/mol
Exact Mass351.12
IUPAC Name4-(bromomethyl)-N-(2-tert-butylcyclohexyl)benzamide
SMILESCC(C)(C)C1CCCCC1NC(=O)c1ccc(CBr)cc1
InChIInChI=1S/C18H26BrNO/c1-18(2,3)15-6-4-5-7-16(15)20-17(21)14-10-8-13(12-19)9-11-14/h8-11,15-16H,4-7,12H2,1-3H3,(H,20,21)
InChIKeyCAZRMCUXCWTQBG-UHFFFAOYSA-N
XLogP4.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(bromomethyl)-N-(2-tert-butylcyclohexyl)benzamide 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-(2-tert-butylcyclohexyl)-4-iodobenzamide
CID 63525981
4-amino-N-(2-tert-butylcyclohexyl)-3-methylbenzamide
CID 43699383
3-bromo-N-(2-tert-butylcyclohexyl)-4-chlorobenzamide
CID 107999351
4-tert-butyl-N-[(1R,2S)-2-[(4-tert-butylbenzoyl)amino]cyclohexyl]benzamide
CID 7311333
N-[(1S,2R)-2-tert-butylcyclohexyl]-5-methylfuran-2-carboxamide
CID 27459810
N-[(1R,2S)-2-tert-butylcyclohexyl]furan-2-carboxamide
CID 27451326
N-(2-bicyclo[2.2.1]heptanyl)-4-(bromomethyl)benzamide
CID 102851737
N-[2-(bromomethyl)cyclohexyl]-4-methylbenzamide
CID 114179665
N-[2-(bromomethyl)cyclohexyl]-4-(trifluoromethyl)benzamide
CID 106367297
N-(2-tert-butylcyclohexyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 55582577
N-(2-tert-butylcyclohexyl)-3-methoxybenzamide
CID 17146888
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-(2-tert-butylcyclohexyl)benzamide?
The IUPAC name of 4-(bromomethyl)-N-(2-tert-butylcyclohexyl)benzamide (CID 102851083) is 4-(bromomethyl)-N-(2-tert-butylcyclohexyl)benzamide.
What is the SMILES notation for 4-(bromomethyl)-N-(2-tert-butylcyclohexyl)benzamide?
The canonical SMILES for 4-(bromomethyl)-N-(2-tert-butylcyclohexyl)benzamide is CC(C)(C)C1CCCCC1NC(=O)c1ccc(CBr)cc1.
What is the InChIKey of 4-(bromomethyl)-N-(2-tert-butylcyclohexyl)benzamide?
The InChIKey is CAZRMCUXCWTQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrNO/c1-18(2,3)15-6-4-5-7-16(15)20-17(21)14-10-8-13(12-19)9-11-14/h8-11,15-16H,4-7,12H2,1-3H3,(H,20,21).
What are the key properties of 4-(bromomethyl)-N-(2-tert-butylcyclohexyl)benzamide?
4-(bromomethyl)-N-(2-tert-butylcyclohexyl)benzamide has a molecular weight of 352.32 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-(2-tert-butylcyclohexyl)benzamide is sourced from PubChem (CID 102851083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).