N-(2-bromo-4-methylpentyl)-3-iodobenzamide

C13H17BrINO — CID 107157571

IUPACN-(2-bromo-4-methylpentyl)-3-iodobenzamide
SMILESCC(C)CC(Br)CNC(=O)c1cccc(I)c1
InChIInChI=1S/C13H17BrINO/c1-9(2)6-11(14)8-16-13(17)10-4-3-5-12(15)7-10/h3-5,7,9,11H,6,8H2,1-2H3,(H,16,17)
InChIKeyZETHHVBDBACHJQ-UHFFFAOYSA-N
MW410.09 g/mol
LogP3.83
Rot. Bonds5

About N-(2-bromo-4-methylpentyl)-3-iodobenzamide

N-(2-bromo-4-methylpentyl)-3-iodobenzamide (PubChem CID 107157571) has the molecular formula C13H17BrINO and a molecular weight of 410.09 g/mol. Its IUPAC name is N-(2-bromo-4-methylpentyl)-3-iodobenzamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylpentyl)-3-iodobenzamide
PubChem CID107157571
Molecular FormulaC13H17BrINO
Molecular Weight410.09 g/mol
Exact Mass408.95
IUPAC NameN-(2-bromo-4-methylpentyl)-3-iodobenzamide
SMILESCC(C)CC(Br)CNC(=O)c1cccc(I)c1
InChIInChI=1S/C13H17BrINO/c1-9(2)6-11(14)8-16-13(17)10-4-3-5-12(15)7-10/h3-5,7,9,11H,6,8H2,1-2H3,(H,16,17)
InChIKeyZETHHVBDBACHJQ-UHFFFAOYSA-N
XLogP3.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.09
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-bromo-4-methylpentyl)-3-iodobenzamide 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-bromopropyl)-3-iodobenzamide
CID 114308846
N-(2-bromo-4-methylpentyl)benzamide
CID 107157861
N-(2-bromo-3-methoxypropyl)-3-iodobenzamide
CID 114310082
N-(2-amino-3-hydroxybutyl)-3-iodobenzamide
CID 64539149
N-(4-chloro-2-methylbutyl)-3-iodobenzamide
CID 114306257
3-bromo-N-(2-bromo-4-methylpentyl)-4-methylbenzamide
CID 107157706
N-(2-bromo-4-methylpentyl)-4-chlorobenzamide
CID 107157900
N-[2-(2-hydroxyethyl)pentyl]-3-iodobenzamide
CID 103722668
N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-iodobenzamide
CID 76952996
N-(2-bromo-4-methylpentyl)furan-3-carboxamide
CID 107157639
N-(2-acetamidoethyl)-3-iodobenzamide
CID 7942065
N-(2-amino-2-methylpropyl)-3-iodobenzamide
CID 81482556

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylpentyl)-3-iodobenzamide?
The IUPAC name of N-(2-bromo-4-methylpentyl)-3-iodobenzamide (CID 107157571) is N-(2-bromo-4-methylpentyl)-3-iodobenzamide.
What is the SMILES notation for N-(2-bromo-4-methylpentyl)-3-iodobenzamide?
The canonical SMILES for N-(2-bromo-4-methylpentyl)-3-iodobenzamide is CC(C)CC(Br)CNC(=O)c1cccc(I)c1.
What is the InChIKey of N-(2-bromo-4-methylpentyl)-3-iodobenzamide?
The InChIKey is ZETHHVBDBACHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrINO/c1-9(2)6-11(14)8-16-13(17)10-4-3-5-12(15)7-10/h3-5,7,9,11H,6,8H2,1-2H3,(H,16,17).
What are the key properties of N-(2-bromo-4-methylpentyl)-3-iodobenzamide?
N-(2-bromo-4-methylpentyl)-3-iodobenzamide has a molecular weight of 410.09 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylpentyl)-3-iodobenzamide is sourced from PubChem (CID 107157571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).