4-iodo-N-(6-iodohexyl)benzamide

C13H17I2NO — CID 107848472

IUPAC4-iodo-N-(6-iodohexyl)benzamide
SMILESO=C(NCCCCCCI)c1ccc(I)cc1
InChIInChI=1S/C13H17I2NO/c14-9-3-1-2-4-10-16-13(17)11-5-7-12(15)8-6-11/h5-8H,1-4,9-10H2,(H,16,17)
InChIKeyOQYXCPCUOIUWAH-UHFFFAOYSA-N
MW457.09 g/mol
LogP4.02
Rot. Bonds7

About 4-iodo-N-(6-iodohexyl)benzamide

4-iodo-N-(6-iodohexyl)benzamide (PubChem CID 107848472) has the molecular formula C13H17I2NO and a molecular weight of 457.09 g/mol. Its IUPAC name is 4-iodo-N-(6-iodohexyl)benzamide.

Molecular Properties

Compound Name4-iodo-N-(6-iodohexyl)benzamide
PubChem CID107848472
Molecular FormulaC13H17I2NO
Molecular Weight457.09 g/mol
Exact Mass456.94
IUPAC Name4-iodo-N-(6-iodohexyl)benzamide
SMILESO=C(NCCCCCCI)c1ccc(I)cc1
InChIInChI=1S/C13H17I2NO/c14-9-3-1-2-4-10-16-13(17)11-5-7-12(15)8-6-11/h5-8H,1-4,9-10H2,(H,16,17)
InChIKeyOQYXCPCUOIUWAH-UHFFFAOYSA-N
XLogP4.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.09
LogP ≤ 54.02
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

4-iodo-N-(3-iodopropyl)benzamide
CID 114504016
N-(5-iodopentyl)-3,4-dimethylbenzamide
CID 107322453
4-iodo-N-(5-methylsulfanylpentyl)benzamide
CID 104920149
N-(5-iodopentyl)-4-(trifluoromethoxy)benzamide
CID 107322364
4-iodo-N-(4,4,4-trifluorobutyl)benzamide
CID 79039211
4-iodo-N-(3-methylsulfonylpropyl)benzamide
CID 47261727
N-(6-iodohexyl)-3,5-dimethylbenzamide
CID 107848408
3-bromo-4-chloro-N-(5-iodopentyl)benzamide
CID 107994465
4-chloro-3-fluoro-N-(6-iodohexyl)benzamide
CID 107994492
3-bromo-4-fluoro-N-(6-iodohexyl)benzamide
CID 107956941
4-chloro-N-[8-[(4-chlorobenzoyl)amino]octyl]benzamide
CID 3606775
3-chloro-4-hydroxy-N-(4-iodobutyl)benzamide
CID 106846289

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-(6-iodohexyl)benzamide?
The IUPAC name of 4-iodo-N-(6-iodohexyl)benzamide (CID 107848472) is 4-iodo-N-(6-iodohexyl)benzamide.
What is the SMILES notation for 4-iodo-N-(6-iodohexyl)benzamide?
The canonical SMILES for 4-iodo-N-(6-iodohexyl)benzamide is O=C(NCCCCCCI)c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-(6-iodohexyl)benzamide?
The InChIKey is OQYXCPCUOIUWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17I2NO/c14-9-3-1-2-4-10-16-13(17)11-5-7-12(15)8-6-11/h5-8H,1-4,9-10H2,(H,16,17).
What are the key properties of 4-iodo-N-(6-iodohexyl)benzamide?
4-iodo-N-(6-iodohexyl)benzamide has a molecular weight of 457.09 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-(6-iodohexyl)benzamide is sourced from PubChem (CID 107848472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).