N-(2-chloro-4-fluorophenyl)-3-hydroxy-4-iodobenzamide

C13H8ClFINO2 — CID 104627344

IUPACN-(2-chloro-4-fluorophenyl)-3-hydroxy-4-iodobenzamide
SMILESO=C(Nc1ccc(F)cc1Cl)c1ccc(I)c(O)c1
InChIInChI=1S/C13H8ClFINO2/c14-9-6-8(15)2-4-11(9)17-13(19)7-1-3-10(16)12(18)5-7/h1-6,18H,(H,17,19)
InChIKeyZSLRMXYHLJAEKK-UHFFFAOYSA-N
MW391.57 g/mol
LogP4.04
Rot. Bonds2

About N-(2-chloro-4-fluorophenyl)-3-hydroxy-4-iodobenzamide

N-(2-chloro-4-fluorophenyl)-3-hydroxy-4-iodobenzamide (PubChem CID 104627344) has the molecular formula C13H8ClFINO2 and a molecular weight of 391.57 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-3-hydroxy-4-iodobenzamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-3-hydroxy-4-iodobenzamide
PubChem CID104627344
Molecular FormulaC13H8ClFINO2
Molecular Weight391.57 g/mol
Exact Mass390.93
IUPAC NameN-(2-chloro-4-fluorophenyl)-3-hydroxy-4-iodobenzamide
SMILESO=C(Nc1ccc(F)cc1Cl)c1ccc(I)c(O)c1
InChIInChI=1S/C13H8ClFINO2/c14-9-6-8(15)2-4-11(9)17-13(19)7-1-3-10(16)12(18)5-7/h1-6,18H,(H,17,19)
InChIKeyZSLRMXYHLJAEKK-UHFFFAOYSA-N
XLogP4.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.57
LogP ≤ 54.04
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-(2-chloro-4-fluorophenyl)-3,4-difluorobenzamide
CID 30431388
N-(2-chloro-4-fluorophenyl)-3-iodobenzamide
CID 26364200
N-(2-chloro-5-fluorophenyl)-3,4-dihydroxybenzamide
CID 103956903
4-bromo-N-(2-chloro-4-fluorophenyl)-3-methylbenzamide
CID 112705655
N-(2-chloro-4-fluorophenyl)-4-(2-phenylethynyl)benzamide
CID 24534991
N-(4-fluoro-2-iodophenyl)-3-hydroxy-4-methylbenzamide
CID 79766392
4-benzamido-N-(2-chloro-4-fluorophenyl)benzamide
CID 30705488
N-(2-chloro-4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 26364276
4-amino-3-chloro-N-(4-fluoro-2-iodophenyl)benzamide
CID 79769352
N-(2-bromo-4-fluorophenyl)-3-chloro-4-hydroxybenzamide
CID 28938603
N-(2-chloro-4-fluorophenyl)thiophene-3-carboxamide
CID 30273412
6-amino-N-(2-chloro-4-fluorophenyl)pyridine-3-carboxamide
CID 62155431

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-3-hydroxy-4-iodobenzamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-3-hydroxy-4-iodobenzamide (CID 104627344) is N-(2-chloro-4-fluorophenyl)-3-hydroxy-4-iodobenzamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-3-hydroxy-4-iodobenzamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-3-hydroxy-4-iodobenzamide is O=C(Nc1ccc(F)cc1Cl)c1ccc(I)c(O)c1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-3-hydroxy-4-iodobenzamide?
The InChIKey is ZSLRMXYHLJAEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFINO2/c14-9-6-8(15)2-4-11(9)17-13(19)7-1-3-10(16)12(18)5-7/h1-6,18H,(H,17,19).
What are the key properties of N-(2-chloro-4-fluorophenyl)-3-hydroxy-4-iodobenzamide?
N-(2-chloro-4-fluorophenyl)-3-hydroxy-4-iodobenzamide has a molecular weight of 391.57 g/mol, XLogP of 4.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-3-hydroxy-4-iodobenzamide is sourced from PubChem (CID 104627344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).