3-bromo-4-chloro-N-(5-iodopentyl)benzamide

C12H14BrClINO — CID 107994465

IUPAC3-bromo-4-chloro-N-(5-iodopentyl)benzamide
SMILESO=C(NCCCCCI)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C12H14BrClINO/c13-10-8-9(4-5-11(10)14)12(17)16-7-3-1-2-6-15/h4-5,8H,1-3,6-7H2,(H,16,17)
InChIKeyVXEIWNLUJRHUMR-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.44
Rot. Bonds6

About 3-bromo-4-chloro-N-(5-iodopentyl)benzamide

3-bromo-4-chloro-N-(5-iodopentyl)benzamide (PubChem CID 107994465) has the molecular formula C12H14BrClINO and a molecular weight of 430.51 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(5-iodopentyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(5-iodopentyl)benzamide
PubChem CID107994465
Molecular FormulaC12H14BrClINO
Molecular Weight430.51 g/mol
Exact Mass428.90
IUPAC Name3-bromo-4-chloro-N-(5-iodopentyl)benzamide
SMILESO=C(NCCCCCI)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C12H14BrClINO/c13-10-8-9(4-5-11(10)14)12(17)16-7-3-1-2-6-15/h4-5,8H,1-3,6-7H2,(H,16,17)
InChIKeyVXEIWNLUJRHUMR-UHFFFAOYSA-N
XLogP4.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.44
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-bromo-4-fluoro-N-(6-iodohexyl)benzamide
CID 107956941
4-chloro-3-fluoro-N-(6-iodohexyl)benzamide
CID 107994492
5-[(3-bromo-4-chlorobenzoyl)amino]pentanoic acid
CID 107997905
N-(5-amino-5-sulfanylidenepentyl)-3-bromo-4-chlorobenzamide
CID 114025855
3-bromo-4-chloro-N-(4-methoxybutyl)benzamide
CID 110610259
methyl 6-[(3-bromo-4-chlorobenzoyl)amino]hexanoate
CID 103841612
3-chloro-4-hydroxy-N-(4-iodobutyl)benzamide
CID 106846289
3-bromo-4-chloro-N-(3-methylsulfinylpropyl)benzamide
CID 103842015
4-chloro-N-(3-iodopropyl)-3-methylbenzamide
CID 114504083
3-bromo-4-chloro-N-[4-[methyl(propan-2-yl)amino]butyl]benzamide
CID 103841799
N-(5-iodopentyl)-3,4-dimethylbenzamide
CID 107322453
3-bromo-4-chloro-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 103841452

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(5-iodopentyl)benzamide?
The IUPAC name of 3-bromo-4-chloro-N-(5-iodopentyl)benzamide (CID 107994465) is 3-bromo-4-chloro-N-(5-iodopentyl)benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(5-iodopentyl)benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-(5-iodopentyl)benzamide is O=C(NCCCCCI)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-(5-iodopentyl)benzamide?
The InChIKey is VXEIWNLUJRHUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClINO/c13-10-8-9(4-5-11(10)14)12(17)16-7-3-1-2-6-15/h4-5,8H,1-3,6-7H2,(H,16,17).
What are the key properties of 3-bromo-4-chloro-N-(5-iodopentyl)benzamide?
3-bromo-4-chloro-N-(5-iodopentyl)benzamide has a molecular weight of 430.51 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(5-iodopentyl)benzamide is sourced from PubChem (CID 107994465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).