4-(bromomethyl)-N-octan-2-ylbenzamide

C16H24BrNO — CID 102851160

IUPAC4-(bromomethyl)-N-octan-2-ylbenzamide
SMILESCCCCCCC(C)NC(=O)c1ccc(CBr)cc1
InChIInChI=1S/C16H24BrNO/c1-3-4-5-6-7-13(2)18-16(19)15-10-8-14(12-17)9-11-15/h8-11,13H,3-7,12H2,1-2H3,(H,18,19)
InChIKeyOQNFSCXUJPRILM-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.67
Rot. Bonds8

About 4-(bromomethyl)-N-octan-2-ylbenzamide

4-(bromomethyl)-N-octan-2-ylbenzamide (PubChem CID 102851160) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 4-(bromomethyl)-N-octan-2-ylbenzamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-octan-2-ylbenzamide
PubChem CID102851160
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name4-(bromomethyl)-N-octan-2-ylbenzamide
SMILESCCCCCCC(C)NC(=O)c1ccc(CBr)cc1
InChIInChI=1S/C16H24BrNO/c1-3-4-5-6-7-13(2)18-16(19)15-10-8-14(12-17)9-11-15/h8-11,13H,3-7,12H2,1-2H3,(H,18,19)
InChIKeyOQNFSCXUJPRILM-UHFFFAOYSA-N
XLogP4.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(bromomethyl)-N-octan-2-ylbenzamide 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

4-(bromomethyl)-N-pentan-2-ylbenzamide
CID 102850779
4-(aminomethyl)-N-heptan-2-ylbenzamide
CID 43575776
4-bromo-N-heptan-2-ylbenzamide
CID 3735409
N-octan-2-yl-4-sulfanylbenzamide
CID 107025266
4-(bromomethyl)-N-(4-methoxybutan-2-yl)benzamide
CID 102851748
N-octan-2-yl-4-(propylamino)benzamide
CID 63500795
4-fluoro-N-hexan-2-ylbenzamide
CID 62199480
N-methyl-4-[(nonan-2-ylamino)methyl]benzamide
CID 43129912
4-(bromomethyl)-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 102851452
N-octan-2-yl-1H-indole-5-carboxamide
CID 63716567
N-(5-bromopentan-2-yl)-4-chlorobenzamide
CID 114316555
4-[[4-(bromomethyl)phenyl]diazenyl]-N-dodecylbenzamide
CID 141482421

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-octan-2-ylbenzamide?
The IUPAC name of 4-(bromomethyl)-N-octan-2-ylbenzamide (CID 102851160) is 4-(bromomethyl)-N-octan-2-ylbenzamide.
What is the SMILES notation for 4-(bromomethyl)-N-octan-2-ylbenzamide?
The canonical SMILES for 4-(bromomethyl)-N-octan-2-ylbenzamide is CCCCCCC(C)NC(=O)c1ccc(CBr)cc1.
What is the InChIKey of 4-(bromomethyl)-N-octan-2-ylbenzamide?
The InChIKey is OQNFSCXUJPRILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-3-4-5-6-7-13(2)18-16(19)15-10-8-14(12-17)9-11-15/h8-11,13H,3-7,12H2,1-2H3,(H,18,19).
What are the key properties of 4-(bromomethyl)-N-octan-2-ylbenzamide?
4-(bromomethyl)-N-octan-2-ylbenzamide has a molecular weight of 326.28 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-octan-2-ylbenzamide is sourced from PubChem (CID 102851160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).