4-(bromomethyl)-N-(cyclohex-3-en-1-ylmethyl)benzamide

C15H18BrNO — CID 102851555

IUPAC4-(bromomethyl)-N-(cyclohex-3-en-1-ylmethyl)benzamide
SMILESO=C(NCC1CC=CCC1)c1ccc(CBr)cc1
InChIInChI=1S/C15H18BrNO/c16-10-12-6-8-14(9-7-12)15(18)17-11-13-4-2-1-3-5-13/h1-2,6-9,13H,3-5,10-11H2,(H,17,18)
InChIKeyHYTKFUIUDGYGRO-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.67
Rot. Bonds4

About 4-(bromomethyl)-N-(cyclohex-3-en-1-ylmethyl)benzamide

4-(bromomethyl)-N-(cyclohex-3-en-1-ylmethyl)benzamide (PubChem CID 102851555) has the molecular formula C15H18BrNO and a molecular weight of 308.22 g/mol. Its IUPAC name is 4-(bromomethyl)-N-(cyclohex-3-en-1-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-(cyclohex-3-en-1-ylmethyl)benzamide
PubChem CID102851555
Molecular FormulaC15H18BrNO
Molecular Weight308.22 g/mol
Exact Mass307.06
IUPAC Name4-(bromomethyl)-N-(cyclohex-3-en-1-ylmethyl)benzamide
SMILESO=C(NCC1CC=CCC1)c1ccc(CBr)cc1
InChIInChI=1S/C15H18BrNO/c16-10-12-6-8-14(9-7-12)15(18)17-11-13-4-2-1-3-5-13/h1-2,6-9,13H,3-5,10-11H2,(H,17,18)
InChIKeyHYTKFUIUDGYGRO-UHFFFAOYSA-N
XLogP3.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(bromomethyl)-N-(cyclohex-3-en-1-ylmethyl)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

5-amino-N-(cyclohex-3-en-1-ylmethyl)-2,4-dimethylbenzamide
CID 102705456
3-bromo-N-(cyclohex-3-en-1-ylmethyl)pyridine-2-carboxamide
CID 107518869
4-(bromomethyl)-N-(2-cyclopropylpropyl)benzamide
CID 102852082
N-(cyclohex-3-en-1-ylmethyl)-2,4-dihydroxybenzamide
CID 113227469
N-(cyclohex-3-en-1-ylmethyl)-4-fluoro-2-hydroxybenzamide
CID 113304561
N-(cyclohex-3-en-1-ylmethyl)-2,3-difluoropyridine-4-carboxamide
CID 105381100
4-(bromomethyl)-N-(2-hydroxyethyl)benzamide
CID 82110896
N-[3-(cyclohex-3-en-1-ylmethylamino)-3-oxo-1-phenylpropyl]benzamide
CID 48875034
N-(cyclohex-3-en-1-ylmethyl)-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 48875108
N-(cyclohex-3-en-1-ylmethyl)-2,2,2-trifluoroacetamide
CID 54046672
N-(cyclohex-3-en-1-ylmethyl)-2,2-difluoroacetamide
CID 103515679
N-(4-aminocyclohexyl)-4-(bromomethyl)benzamide
CID 102851590

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-(cyclohex-3-en-1-ylmethyl)benzamide?
The IUPAC name of 4-(bromomethyl)-N-(cyclohex-3-en-1-ylmethyl)benzamide (CID 102851555) is 4-(bromomethyl)-N-(cyclohex-3-en-1-ylmethyl)benzamide.
What is the SMILES notation for 4-(bromomethyl)-N-(cyclohex-3-en-1-ylmethyl)benzamide?
The canonical SMILES for 4-(bromomethyl)-N-(cyclohex-3-en-1-ylmethyl)benzamide is O=C(NCC1CC=CCC1)c1ccc(CBr)cc1.
What is the InChIKey of 4-(bromomethyl)-N-(cyclohex-3-en-1-ylmethyl)benzamide?
The InChIKey is HYTKFUIUDGYGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO/c16-10-12-6-8-14(9-7-12)15(18)17-11-13-4-2-1-3-5-13/h1-2,6-9,13H,3-5,10-11H2,(H,17,18).
What are the key properties of 4-(bromomethyl)-N-(cyclohex-3-en-1-ylmethyl)benzamide?
4-(bromomethyl)-N-(cyclohex-3-en-1-ylmethyl)benzamide has a molecular weight of 308.22 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-(cyclohex-3-en-1-ylmethyl)benzamide is sourced from PubChem (CID 102851555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).