N-(6-bromohexyl)-2-iodobenzamide

C13H17BrINO — CID 107847400

IUPACN-(6-bromohexyl)-2-iodobenzamide
SMILESO=C(NCCCCCCBr)c1ccccc1I
InChIInChI=1S/C13H17BrINO/c14-9-5-1-2-6-10-16-13(17)11-7-3-4-8-12(11)15/h3-4,7-8H,1-2,5-6,9-10H2,(H,16,17)
InChIKeyRDMOTAASOQCPLI-UHFFFAOYSA-N
MW410.09 g/mol
LogP3.98
Rot. Bonds7

About N-(6-bromohexyl)-2-iodobenzamide

N-(6-bromohexyl)-2-iodobenzamide (PubChem CID 107847400) has the molecular formula C13H17BrINO and a molecular weight of 410.09 g/mol. Its IUPAC name is N-(6-bromohexyl)-2-iodobenzamide.

Molecular Properties

Compound NameN-(6-bromohexyl)-2-iodobenzamide
PubChem CID107847400
Molecular FormulaC13H17BrINO
Molecular Weight410.09 g/mol
Exact Mass408.95
IUPAC NameN-(6-bromohexyl)-2-iodobenzamide
SMILESO=C(NCCCCCCBr)c1ccccc1I
InChIInChI=1S/C13H17BrINO/c14-9-5-1-2-6-10-16-13(17)11-7-3-4-8-12(11)15/h3-4,7-8H,1-2,5-6,9-10H2,(H,16,17)
InChIKeyRDMOTAASOQCPLI-UHFFFAOYSA-N
XLogP3.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.09
LogP ≤ 53.98
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

N-(5-hydroxypentyl)-2-iodobenzamide
CID 107317870
N-(4-bromobutyl)-2-methylbenzamide
CID 106845968
4-[(2-iodobenzoyl)amino]butanoic acid
CID 16775783
N-(3-acetamidopropyl)-2-iodobenzamide
CID 38450093
N-hex-5-ynyl-2-iodobenzamide
CID 103758134
N-(5-bromopentyl)-2-tert-butylbenzamide
CID 107321897
2-iodo-N-pent-4-ynylbenzamide
CID 103709110
2-hydroxy-N-[2-[(2-iodobenzoyl)amino]ethyl]benzamide
CID 108539161
2-iodo-N-[4-(2-methoxyethoxy)butyl]benzamide
CID 113229092
N-(4-bromobutyl)-2-tert-butylbenzamide
CID 106846012
N-(5-bromopentyl)-2,3-dichlorobenzamide
CID 107321695
N-(4-bromobutyl)-2-methoxybenzamide
CID 106845963

Frequently Asked Questions

What is the IUPAC name of N-(6-bromohexyl)-2-iodobenzamide?
The IUPAC name of N-(6-bromohexyl)-2-iodobenzamide (CID 107847400) is N-(6-bromohexyl)-2-iodobenzamide.
What is the SMILES notation for N-(6-bromohexyl)-2-iodobenzamide?
The canonical SMILES for N-(6-bromohexyl)-2-iodobenzamide is O=C(NCCCCCCBr)c1ccccc1I.
What is the InChIKey of N-(6-bromohexyl)-2-iodobenzamide?
The InChIKey is RDMOTAASOQCPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrINO/c14-9-5-1-2-6-10-16-13(17)11-7-3-4-8-12(11)15/h3-4,7-8H,1-2,5-6,9-10H2,(H,16,17).
What are the key properties of N-(6-bromohexyl)-2-iodobenzamide?
N-(6-bromohexyl)-2-iodobenzamide has a molecular weight of 410.09 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromohexyl)-2-iodobenzamide is sourced from PubChem (CID 107847400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).