4-(bromomethyl)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide

C17H24BrNO2 — CID 102851764

IUPAC4-(bromomethyl)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
SMILESCC1(C)CCC(O)(CNC(=O)c2ccc(CBr)cc2)CC1
InChIInChI=1S/C17H24BrNO2/c1-16(2)7-9-17(21,10-8-16)12-19-15(20)14-5-3-13(11-18)4-6-14/h3-6,21H,7-12H2,1-2H3,(H,19,20)
InChIKeyVGLHMRQAJDEWSG-UHFFFAOYSA-N
MW354.29 g/mol
LogP3.64
Rot. Bonds4

About 4-(bromomethyl)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide

4-(bromomethyl)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide (PubChem CID 102851764) has the molecular formula C17H24BrNO2 and a molecular weight of 354.29 g/mol. Its IUPAC name is 4-(bromomethyl)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
PubChem CID102851764
Molecular FormulaC17H24BrNO2
Molecular Weight354.29 g/mol
Exact Mass353.10
IUPAC Name4-(bromomethyl)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
SMILESCC1(C)CCC(O)(CNC(=O)c2ccc(CBr)cc2)CC1
InChIInChI=1S/C17H24BrNO2/c1-16(2)7-9-17(21,10-8-16)12-19-15(20)14-5-3-13(11-18)4-6-14/h3-6,21H,7-12H2,1-2H3,(H,19,20)
InChIKeyVGLHMRQAJDEWSG-UHFFFAOYSA-N
XLogP3.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65119615
5-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]furan-2-carboxamide
CID 65119319
3,4-difluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65119123
3-amino-4-bromo-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65117591
3-bromo-4-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 107952526
4-(bromomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]benzamide
CID 114115857
4-ethyl-N-[(4-hydroxythian-4-yl)methyl]benzamide
CID 111484723
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]thiophene-3-carboxamide
CID 65118946
4-amino-3-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65118030
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(4-methylphenyl)acetamide
CID 65119553
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 65119087
4-(bromomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
CID 114112849

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide?
The IUPAC name of 4-(bromomethyl)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide (CID 102851764) is 4-(bromomethyl)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide.
What is the SMILES notation for 4-(bromomethyl)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide?
The canonical SMILES for 4-(bromomethyl)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide is CC1(C)CCC(O)(CNC(=O)c2ccc(CBr)cc2)CC1.
What is the InChIKey of 4-(bromomethyl)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide?
The InChIKey is VGLHMRQAJDEWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO2/c1-16(2)7-9-17(21,10-8-16)12-19-15(20)14-5-3-13(11-18)4-6-14/h3-6,21H,7-12H2,1-2H3,(H,19,20).
What are the key properties of 4-(bromomethyl)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide?
4-(bromomethyl)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide has a molecular weight of 354.29 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide is sourced from PubChem (CID 102851764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).