N-(3-chloro-4-fluorophenyl)-2-hydroxy-5-iodobenzamide

C13H8ClFINO2 — CID 103602066

IUPACN-(3-chloro-4-fluorophenyl)-2-hydroxy-5-iodobenzamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cc(I)ccc1O
InChIInChI=1S/C13H8ClFINO2/c14-10-6-8(2-3-11(10)15)17-13(19)9-5-7(16)1-4-12(9)18/h1-6,18H,(H,17,19)
InChIKeyNVGPMRXPKKBEON-UHFFFAOYSA-N
MW391.57 g/mol
LogP4.04
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)-2-hydroxy-5-iodobenzamide

N-(3-chloro-4-fluorophenyl)-2-hydroxy-5-iodobenzamide (PubChem CID 103602066) has the molecular formula C13H8ClFINO2 and a molecular weight of 391.57 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-hydroxy-5-iodobenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-hydroxy-5-iodobenzamide
PubChem CID103602066
Molecular FormulaC13H8ClFINO2
Molecular Weight391.57 g/mol
Exact Mass390.93
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-hydroxy-5-iodobenzamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cc(I)ccc1O
InChIInChI=1S/C13H8ClFINO2/c14-10-6-8(2-3-11(10)15)17-13(19)9-5-7(16)1-4-12(9)18/h1-6,18H,(H,17,19)
InChIKeyNVGPMRXPKKBEON-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-(3-chlorophenyl)-2-hydroxy-5-iodobenzamide
CID 103602012
2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 690469
N-(3-chloro-4-fluorophenyl)-2-iodobenzamide
CID 615783
N-(3-chloro-4-fluorophenyl)-5-(2,4-difluorophenyl)-2-hydroxybenzamide
CID 175663537
N-(3-chloro-4-hydroxyphenyl)-5-fluoro-2-hydroxybenzamide
CID 115299202
2-hydroxy-5-iodo-N-naphthalen-2-ylbenzamide
CID 103602016
N-(3-chloro-4-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 62510400
N-(3-chloro-4-methylphenyl)-5-fluoro-2-hydroxybenzamide
CID 115298821
N-(2-bromo-6-chloro-4-fluorophenyl)-2-hydroxy-5-iodobenzamide
CID 107731622
5-chloro-2-hydroxy-N-(3,4,5-trifluorophenyl)benzamide
CID 62812024
2-chloro-N-(3-chloro-4-fluorophenyl)-4-methylbenzamide
CID 885992
2-chloro-N-(3-chloro-4-fluorophenyl)-5-sulfamoylbenzamide
CID 36704856

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-hydroxy-5-iodobenzamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-hydroxy-5-iodobenzamide (CID 103602066) is N-(3-chloro-4-fluorophenyl)-2-hydroxy-5-iodobenzamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-hydroxy-5-iodobenzamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-hydroxy-5-iodobenzamide is O=C(Nc1ccc(F)c(Cl)c1)c1cc(I)ccc1O.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-hydroxy-5-iodobenzamide?
The InChIKey is NVGPMRXPKKBEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFINO2/c14-10-6-8(2-3-11(10)15)17-13(19)9-5-7(16)1-4-12(9)18/h1-6,18H,(H,17,19).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-hydroxy-5-iodobenzamide?
N-(3-chloro-4-fluorophenyl)-2-hydroxy-5-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-(3-chloro-4-fluorophenyl)-2-hydroxy-5-iodobenzamide is sourced from PubChem (CID 103602066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).