5-bromo-N-[2-(2-fluorophenyl)ethyl]-2-iodobenzamide

C15H12BrFINO — CID 35613683

IUPAC5-bromo-N-[2-(2-fluorophenyl)ethyl]-2-iodobenzamide
SMILESO=C(NCCc1ccccc1F)c1cc(Br)ccc1I
InChIInChI=1S/C15H12BrFINO/c16-11-5-6-14(18)12(9-11)15(20)19-8-7-10-3-1-2-4-13(10)17/h1-6,9H,7-8H2,(H,19,20)
InChIKeyMINACNDBOKWTGK-UHFFFAOYSA-N
MW448.07 g/mol
LogP4.17
Rot. Bonds4

About 5-bromo-N-[2-(2-fluorophenyl)ethyl]-2-iodobenzamide

5-bromo-N-[2-(2-fluorophenyl)ethyl]-2-iodobenzamide (PubChem CID 35613683) has the molecular formula C15H12BrFINO and a molecular weight of 448.07 g/mol. Its IUPAC name is 5-bromo-N-[2-(2-fluorophenyl)ethyl]-2-iodobenzamide.

Molecular Properties

Compound Name5-bromo-N-[2-(2-fluorophenyl)ethyl]-2-iodobenzamide
PubChem CID35613683
Molecular FormulaC15H12BrFINO
Molecular Weight448.07 g/mol
Exact Mass446.91
IUPAC Name5-bromo-N-[2-(2-fluorophenyl)ethyl]-2-iodobenzamide
SMILESO=C(NCCc1ccccc1F)c1cc(Br)ccc1I
InChIInChI=1S/C15H12BrFINO/c16-11-5-6-14(18)12(9-11)15(20)19-8-7-10-3-1-2-4-13(10)17/h1-6,9H,7-8H2,(H,19,20)
InChIKeyMINACNDBOKWTGK-UHFFFAOYSA-N
XLogP4.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.07
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-fluoro-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 24694264
5-bromo-2-iodo-N-[2-(methylamino)ethyl]benzamide
CID 103806278
4-bromo-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 8636623
4-bromo-2-fluoro-N-[2-(2-methylphenyl)ethyl]benzamide
CID 26927952
N-[(5-bromo-2-fluorophenyl)methyl]-2-iodobenzamide
CID 46592497
N-[2-(4-aminophenyl)ethyl]-5-bromo-2-iodobenzamide
CID 103806709
5-bromo-2-iodo-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 35860687
5-bromo-N-[(2-fluorophenyl)methyl]-2-hydroxybenzamide
CID 27163577
N-[2-(1H-benzimidazol-2-yl)ethyl]-5-bromo-2-iodobenzamide
CID 34258206
5-bromo-N-ethyl-2-iodobenzamide
CID 47100033
4-[(5-bromo-2-iodobenzoyl)amino]butanoic acid
CID 43239229
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(2-fluorophenyl)ethyl]-2-iodobenzamide?
The IUPAC name of 5-bromo-N-[2-(2-fluorophenyl)ethyl]-2-iodobenzamide (CID 35613683) is 5-bromo-N-[2-(2-fluorophenyl)ethyl]-2-iodobenzamide.
What is the SMILES notation for 5-bromo-N-[2-(2-fluorophenyl)ethyl]-2-iodobenzamide?
The canonical SMILES for 5-bromo-N-[2-(2-fluorophenyl)ethyl]-2-iodobenzamide is O=C(NCCc1ccccc1F)c1cc(Br)ccc1I.
What is the InChIKey of 5-bromo-N-[2-(2-fluorophenyl)ethyl]-2-iodobenzamide?
The InChIKey is MINACNDBOKWTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFINO/c16-11-5-6-14(18)12(9-11)15(20)19-8-7-10-3-1-2-4-13(10)17/h1-6,9H,7-8H2,(H,19,20).
What are the key properties of 5-bromo-N-[2-(2-fluorophenyl)ethyl]-2-iodobenzamide?
5-bromo-N-[2-(2-fluorophenyl)ethyl]-2-iodobenzamide has a molecular weight of 448.07 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(2-fluorophenyl)ethyl]-2-iodobenzamide is sourced from PubChem (CID 35613683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).