N-(5-chloro-2-fluorophenyl)-2-hydroxy-3,5-diiodobenzamide

C13H7ClFI2NO2 — CID 11998244

IUPACN-(5-chloro-2-fluorophenyl)-2-hydroxy-3,5-diiodobenzamide
SMILESO=C(Nc1cc(Cl)ccc1F)c1cc(I)cc(I)c1O
InChIInChI=1S/C13H7ClFI2NO2/c14-6-1-2-9(15)11(3-6)18-13(20)8-4-7(16)5-10(17)12(8)19/h1-5,19H,(H,18,20)
InChIKeyPSMAPTHBJHUKRP-UHFFFAOYSA-N
MW517.46 g/mol
LogP4.65
Rot. Bonds2

About N-(5-chloro-2-fluorophenyl)-2-hydroxy-3,5-diiodobenzamide

N-(5-chloro-2-fluorophenyl)-2-hydroxy-3,5-diiodobenzamide (PubChem CID 11998244) has the molecular formula C13H7ClFI2NO2 and a molecular weight of 517.46 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-2-hydroxy-3,5-diiodobenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-2-hydroxy-3,5-diiodobenzamide
PubChem CID11998244
Molecular FormulaC13H7ClFI2NO2
Molecular Weight517.46 g/mol
Exact Mass516.82
IUPAC NameN-(5-chloro-2-fluorophenyl)-2-hydroxy-3,5-diiodobenzamide
SMILESO=C(Nc1cc(Cl)ccc1F)c1cc(I)cc(I)c1O
InChIInChI=1S/C13H7ClFI2NO2/c14-6-1-2-9(15)11(3-6)18-13(20)8-4-7(16)5-10(17)12(8)19/h1-5,19H,(H,18,20)
InChIKeyPSMAPTHBJHUKRP-UHFFFAOYSA-N
XLogP4.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.46
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-fluorophenyl)-2,4-difluorobenzamide
CID 7899666
5-chloro-N-(5-chloro-2-fluorophenyl)-2-hydrazinylbenzamide
CID 62242667
N-(5-chloro-2-fluorophenyl)-2-fluoro-4-methylbenzamide
CID 79770803
N-(5-chloro-2-fluorophenyl)-4-fluorobenzamide
CID 2664585
N-[4-[2-amino-1-(4-chlorophenyl)-2-oxoethyl]-5-chloro-2-methylphenyl]-2-hydroxy-3,5-diiodobenzamide
CID 169433203
methyl 2-[2-chloro-4-[(2-hydroxy-3,5-diiodobenzoyl)amino]-5-methylphenyl]-2-(4-chlorophenyl)acetate
CID 169443507
N-(4-chloro-2-iodophenyl)-2,3,4-trifluorobenzamide
CID 103766916
N-(5-chloro-2-fluorophenyl)-2-methoxybenzamide
CID 8759235
4-chloro-N-(4-fluoro-2-iodophenyl)-2-hydroxybenzamide
CID 79766720
2,5-dichloro-N-(3,5-dichloro-2-hydroxyphenyl)benzamide
CID 103891166
2,6-dichloro-N-(5-chloro-2-fluorophenyl)pyridine-4-carboxamide
CID 43384924
4-chloro-N-(5-chloro-2-fluorophenyl)pyridine-2-carboxamide
CID 43385379

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)-2-hydroxy-3,5-diiodobenzamide?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-2-hydroxy-3,5-diiodobenzamide (CID 11998244) is N-(5-chloro-2-fluorophenyl)-2-hydroxy-3,5-diiodobenzamide.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-2-hydroxy-3,5-diiodobenzamide?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-2-hydroxy-3,5-diiodobenzamide is O=C(Nc1cc(Cl)ccc1F)c1cc(I)cc(I)c1O.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-2-hydroxy-3,5-diiodobenzamide?
The InChIKey is PSMAPTHBJHUKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClFI2NO2/c14-6-1-2-9(15)11(3-6)18-13(20)8-4-7(16)5-10(17)12(8)19/h1-5,19H,(H,18,20).
What are the key properties of N-(5-chloro-2-fluorophenyl)-2-hydroxy-3,5-diiodobenzamide?
N-(5-chloro-2-fluorophenyl)-2-hydroxy-3,5-diiodobenzamide has a molecular weight of 517.46 g/mol, XLogP of 4.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-fluorophenyl)-2-hydroxy-3,5-diiodobenzamide is sourced from PubChem (CID 11998244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).