4-(bromomethyl)-N-(3,3,5,5-tetramethylcyclohexyl)benzamide

C18H26BrNO — CID 102852021

IUPAC4-(bromomethyl)-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
SMILESCC1(C)CC(NC(=O)c2ccc(CBr)cc2)CC(C)(C)C1
InChIInChI=1S/C18H26BrNO/c1-17(2)9-15(10-18(3,4)12-17)20-16(21)14-7-5-13(11-19)6-8-14/h5-8,15H,9-12H2,1-4H3,(H,20,21)
InChIKeyXQDBBJRISDHZRL-UHFFFAOYSA-N
MW352.32 g/mol
LogP4.92
Rot. Bonds3

About 4-(bromomethyl)-N-(3,3,5,5-tetramethylcyclohexyl)benzamide

4-(bromomethyl)-N-(3,3,5,5-tetramethylcyclohexyl)benzamide (PubChem CID 102852021) has the molecular formula C18H26BrNO and a molecular weight of 352.32 g/mol. Its IUPAC name is 4-(bromomethyl)-N-(3,3,5,5-tetramethylcyclohexyl)benzamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
PubChem CID102852021
Molecular FormulaC18H26BrNO
Molecular Weight352.32 g/mol
Exact Mass351.12
IUPAC Name4-(bromomethyl)-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
SMILESCC1(C)CC(NC(=O)c2ccc(CBr)cc2)CC(C)(C)C1
InChIInChI=1S/C18H26BrNO/c1-17(2)9-15(10-18(3,4)12-17)20-16(21)14-7-5-13(11-19)6-8-14/h5-8,15H,9-12H2,1-4H3,(H,20,21)
InChIKeyXQDBBJRISDHZRL-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'}

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Related Compounds

5-bromo-N-(3,3,5,5-tetramethylcyclohexyl)furan-2-carboxamide
CID 103966929
N-(4-aminocyclohexyl)-4-(bromomethyl)benzamide
CID 102851590
4-hydroxy-3-methyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
CID 107676803
4-[[3-(aminomethyl)-3,5,5-trimethylcyclohexyl]carbamoyl]benzoic acid
CID 121317332
4-(bromomethyl)-N-(thiolan-3-yl)benzamide
CID 103062722
3-amino-4-chloro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
CID 103965109
4-fluoro-3-sulfanyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
CID 107034256
4-(bromomethyl)-N-(2-tert-butylcyclohexyl)benzamide
CID 102851083
3-amino-5-bromo-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
CID 103965099
4-[(carbamoylamino)methyl]-N-(3,3-dimethylcyclopentyl)benzamide
CID 115880620
4-(bromomethyl)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 102851764
4-bromo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]benzamide
CID 673806

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-(3,3,5,5-tetramethylcyclohexyl)benzamide?
The IUPAC name of 4-(bromomethyl)-N-(3,3,5,5-tetramethylcyclohexyl)benzamide (CID 102852021) is 4-(bromomethyl)-N-(3,3,5,5-tetramethylcyclohexyl)benzamide.
What is the SMILES notation for 4-(bromomethyl)-N-(3,3,5,5-tetramethylcyclohexyl)benzamide?
The canonical SMILES for 4-(bromomethyl)-N-(3,3,5,5-tetramethylcyclohexyl)benzamide is CC1(C)CC(NC(=O)c2ccc(CBr)cc2)CC(C)(C)C1.
What is the InChIKey of 4-(bromomethyl)-N-(3,3,5,5-tetramethylcyclohexyl)benzamide?
The InChIKey is XQDBBJRISDHZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrNO/c1-17(2)9-15(10-18(3,4)12-17)20-16(21)14-7-5-13(11-19)6-8-14/h5-8,15H,9-12H2,1-4H3,(H,20,21).
What are the key properties of 4-(bromomethyl)-N-(3,3,5,5-tetramethylcyclohexyl)benzamide?
4-(bromomethyl)-N-(3,3,5,5-tetramethylcyclohexyl)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-(3,3,5,5-tetramethylcyclohexyl)benzamide is sourced from PubChem (CID 102852021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).