2-bromo-N-(5-bromo-4-methylpentyl)-5-iodobenzamide

C13H16Br2INO — CID 106157956

IUPAC2-bromo-N-(5-bromo-4-methylpentyl)-5-iodobenzamide
SMILESCC(CBr)CCCNC(=O)c1cc(I)ccc1Br
InChIInChI=1S/C13H16Br2INO/c1-9(8-14)3-2-6-17-13(18)11-7-10(16)4-5-12(11)15/h4-5,7,9H,2-3,6,8H2,1H3,(H,17,18)
InChIKeyCZUIFVFFWDZHME-UHFFFAOYSA-N
MW488.99 g/mol
LogP4.59
Rot. Bonds6

About 2-bromo-N-(5-bromo-4-methylpentyl)-5-iodobenzamide

2-bromo-N-(5-bromo-4-methylpentyl)-5-iodobenzamide (PubChem CID 106157956) has the molecular formula C13H16Br2INO and a molecular weight of 488.99 g/mol. Its IUPAC name is 2-bromo-N-(5-bromo-4-methylpentyl)-5-iodobenzamide.

Molecular Properties

Compound Name2-bromo-N-(5-bromo-4-methylpentyl)-5-iodobenzamide
PubChem CID106157956
Molecular FormulaC13H16Br2INO
Molecular Weight488.99 g/mol
Exact Mass486.86
IUPAC Name2-bromo-N-(5-bromo-4-methylpentyl)-5-iodobenzamide
SMILESCC(CBr)CCCNC(=O)c1cc(I)ccc1Br
InChIInChI=1S/C13H16Br2INO/c1-9(8-14)3-2-6-17-13(18)11-7-10(16)4-5-12(11)15/h4-5,7,9H,2-3,6,8H2,1H3,(H,17,18)
InChIKeyCZUIFVFFWDZHME-UHFFFAOYSA-N
XLogP4.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.99
LogP ≤ 54.59
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-bromo-N-(5-bromo-4-methylpentyl)-2-methylbenzamide
CID 106157759
4-bromo-N-(5-bromo-4-methylpentyl)-2-chlorobenzamide
CID 114151560
2-bromo-5-iodo-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 103995758
2-bromo-N-[2-(dimethylamino)propyl]-5-iodobenzamide
CID 103994631
N-(4-amino-4-sulfanylidenebutyl)-2-bromo-5-iodobenzamide
CID 114027669
2-bromo-N-but-3-ynyl-5-iodobenzamide
CID 103989976
2,5-dibromo-N-(4-hydroxypentyl)benzamide
CID 107300307
2-bromo-N-(1-bromo-4-methylpentan-3-yl)-5-iodobenzamide
CID 106355270
N-(5-bromo-4-methylpentyl)-2,5-dimethylfuran-3-carboxamide
CID 106157282
2-bromo-5-iodo-N-(2-phenoxyethyl)benzamide
CID 103988921
2-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-5-iodobenzamide
CID 114139345
N-(5-bromo-4-methylpentyl)-2-chloro-5-methylsulfanylbenzamide
CID 106157274

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5-bromo-4-methylpentyl)-5-iodobenzamide?
The IUPAC name of 2-bromo-N-(5-bromo-4-methylpentyl)-5-iodobenzamide (CID 106157956) is 2-bromo-N-(5-bromo-4-methylpentyl)-5-iodobenzamide.
What is the SMILES notation for 2-bromo-N-(5-bromo-4-methylpentyl)-5-iodobenzamide?
The canonical SMILES for 2-bromo-N-(5-bromo-4-methylpentyl)-5-iodobenzamide is CC(CBr)CCCNC(=O)c1cc(I)ccc1Br.
What is the InChIKey of 2-bromo-N-(5-bromo-4-methylpentyl)-5-iodobenzamide?
The InChIKey is CZUIFVFFWDZHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Br2INO/c1-9(8-14)3-2-6-17-13(18)11-7-10(16)4-5-12(11)15/h4-5,7,9H,2-3,6,8H2,1H3,(H,17,18).
What are the key properties of 2-bromo-N-(5-bromo-4-methylpentyl)-5-iodobenzamide?
2-bromo-N-(5-bromo-4-methylpentyl)-5-iodobenzamide has a molecular weight of 488.99 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(5-bromo-4-methylpentyl)-5-iodobenzamide is sourced from PubChem (CID 106157956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).