2-bromo-N-cyclobutyl-N-(2-hydroxyethyl)-5-iodobenzamide

C13H15BrINO2 — CID 102684421

IUPAC2-bromo-N-cyclobutyl-N-(2-hydroxyethyl)-5-iodobenzamide
SMILESO=C(c1cc(I)ccc1Br)N(CCO)C1CCC1
InChIInChI=1S/C13H15BrINO2/c14-12-5-4-9(15)8-11(12)13(18)16(6-7-17)10-2-1-3-10/h4-5,8,10,17H,1-3,6-7H2
InChIKeyGKOYSQNXGBJGPR-UHFFFAOYSA-N
MW424.08 g/mol
LogP3.04
Rot. Bonds4

About 2-bromo-N-cyclobutyl-N-(2-hydroxyethyl)-5-iodobenzamide

2-bromo-N-cyclobutyl-N-(2-hydroxyethyl)-5-iodobenzamide (PubChem CID 102684421) has the molecular formula C13H15BrINO2 and a molecular weight of 424.08 g/mol. Its IUPAC name is 2-bromo-N-cyclobutyl-N-(2-hydroxyethyl)-5-iodobenzamide.

Molecular Properties

Compound Name2-bromo-N-cyclobutyl-N-(2-hydroxyethyl)-5-iodobenzamide
PubChem CID102684421
Molecular FormulaC13H15BrINO2
Molecular Weight424.08 g/mol
Exact Mass422.93
IUPAC Name2-bromo-N-cyclobutyl-N-(2-hydroxyethyl)-5-iodobenzamide
SMILESO=C(c1cc(I)ccc1Br)N(CCO)C1CCC1
InChIInChI=1S/C13H15BrINO2/c14-12-5-4-9(15)8-11(12)13(18)16(6-7-17)10-2-1-3-10/h4-5,8,10,17H,1-3,6-7H2
InChIKeyGKOYSQNXGBJGPR-UHFFFAOYSA-N
XLogP3.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.08
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclobutyl-N-(2-hydroxyethyl)-5-iodobenzamide?
The IUPAC name of 2-bromo-N-cyclobutyl-N-(2-hydroxyethyl)-5-iodobenzamide (CID 102684421) is 2-bromo-N-cyclobutyl-N-(2-hydroxyethyl)-5-iodobenzamide.
What is the SMILES notation for 2-bromo-N-cyclobutyl-N-(2-hydroxyethyl)-5-iodobenzamide?
The canonical SMILES for 2-bromo-N-cyclobutyl-N-(2-hydroxyethyl)-5-iodobenzamide is O=C(c1cc(I)ccc1Br)N(CCO)C1CCC1.
What is the InChIKey of 2-bromo-N-cyclobutyl-N-(2-hydroxyethyl)-5-iodobenzamide?
The InChIKey is GKOYSQNXGBJGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrINO2/c14-12-5-4-9(15)8-11(12)13(18)16(6-7-17)10-2-1-3-10/h4-5,8,10,17H,1-3,6-7H2.
What are the key properties of 2-bromo-N-cyclobutyl-N-(2-hydroxyethyl)-5-iodobenzamide?
2-bromo-N-cyclobutyl-N-(2-hydroxyethyl)-5-iodobenzamide has a molecular weight of 424.08 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclobutyl-N-(2-hydroxyethyl)-5-iodobenzamide is sourced from PubChem (CID 102684421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).