N-(4-fluorophenyl)-2,5-diiodobenzamide

C13H8FI2NO — CID 46495854

IUPACN-(4-fluorophenyl)-2,5-diiodobenzamide
SMILESO=C(Nc1ccc(F)cc1)c1cc(I)ccc1I
InChIInChI=1S/C13H8FI2NO/c14-8-1-4-10(5-2-8)17-13(18)11-7-9(15)3-6-12(11)16/h1-7H,(H,17,18)
InChIKeyGTMVWMGJKKTQEQ-UHFFFAOYSA-N
MW467.02 g/mol
LogP4.29
Rot. Bonds2

About N-(4-fluorophenyl)-2,5-diiodobenzamide

N-(4-fluorophenyl)-2,5-diiodobenzamide (PubChem CID 46495854) has the molecular formula C13H8FI2NO and a molecular weight of 467.02 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2,5-diiodobenzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2,5-diiodobenzamide
PubChem CID46495854
Molecular FormulaC13H8FI2NO
Molecular Weight467.02 g/mol
Exact Mass466.87
IUPAC NameN-(4-fluorophenyl)-2,5-diiodobenzamide
SMILESO=C(Nc1ccc(F)cc1)c1cc(I)ccc1I
InChIInChI=1S/C13H8FI2NO/c14-8-1-4-10(5-2-8)17-13(18)11-7-9(15)3-6-12(11)16/h1-7H,(H,17,18)
InChIKeyGTMVWMGJKKTQEQ-UHFFFAOYSA-N
XLogP4.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.02
LogP ≤ 54.29
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

N-[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-5-fluoro-2-iodobenzamide
CID 86878003
2-iodo-N-(4-iodophenyl)-5-nitrobenzamide
CID 38888111
2-iodo-N-(4-iodophenyl)benzamide
CID 3118704
2,5-diiodo-N-methylbenzamide
CID 131072416
3,5-difluoro-N-(4-iodophenyl)benzamide
CID 3874548
2,3,4,5-tetrafluoro-N-(4-iodophenyl)benzamide
CID 3448469
N-(4-fluoro-2-iodophenyl)-2-hydroxy-5-iodobenzamide
CID 107731604
2-amino-4-fluoro-N-(4-fluorophenyl)benzamide
CID 62059687
5-bromo-N-(3,4-difluorophenyl)-2-iodobenzamide
CID 34845392
1-N,2-N-bis(4-iodophenyl)benzene-1,2-dicarboxamide
CID 2852267
4-chloro-2-fluoro-N-(4-fluorophenyl)benzamide
CID 26687726
5-bromo-N-(3-fluoro-5-methylphenyl)-2-iodobenzamide
CID 114033240

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2,5-diiodobenzamide?
The IUPAC name of N-(4-fluorophenyl)-2,5-diiodobenzamide (CID 46495854) is N-(4-fluorophenyl)-2,5-diiodobenzamide.
What is the SMILES notation for N-(4-fluorophenyl)-2,5-diiodobenzamide?
The canonical SMILES for N-(4-fluorophenyl)-2,5-diiodobenzamide is O=C(Nc1ccc(F)cc1)c1cc(I)ccc1I.
What is the InChIKey of N-(4-fluorophenyl)-2,5-diiodobenzamide?
The InChIKey is GTMVWMGJKKTQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FI2NO/c14-8-1-4-10(5-2-8)17-13(18)11-7-9(15)3-6-12(11)16/h1-7H,(H,17,18).
What are the key properties of N-(4-fluorophenyl)-2,5-diiodobenzamide?
N-(4-fluorophenyl)-2,5-diiodobenzamide has a molecular weight of 467.02 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2,5-diiodobenzamide is sourced from PubChem (CID 46495854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).