5-fluoro-N-(3-iodophenyl)-2-nitrobenzamide

C13H8FIN2O3 — CID 60875450

IUPAC5-fluoro-N-(3-iodophenyl)-2-nitrobenzamide
SMILESO=C(Nc1cccc(I)c1)c1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H8FIN2O3/c14-8-4-5-12(17(19)20)11(6-8)13(18)16-10-3-1-2-9(15)7-10/h1-7H,(H,16,18)
InChIKeyQFKIPKYFSQLQJL-UHFFFAOYSA-N
MW386.12 g/mol
LogP3.59
Rot. Bonds3

About 5-fluoro-N-(3-iodophenyl)-2-nitrobenzamide

5-fluoro-N-(3-iodophenyl)-2-nitrobenzamide (PubChem CID 60875450) has the molecular formula C13H8FIN2O3 and a molecular weight of 386.12 g/mol. Its IUPAC name is 5-fluoro-N-(3-iodophenyl)-2-nitrobenzamide.

Molecular Properties

Compound Name5-fluoro-N-(3-iodophenyl)-2-nitrobenzamide
PubChem CID60875450
Molecular FormulaC13H8FIN2O3
Molecular Weight386.12 g/mol
Exact Mass385.96
IUPAC Name5-fluoro-N-(3-iodophenyl)-2-nitrobenzamide
SMILESO=C(Nc1cccc(I)c1)c1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H8FIN2O3/c14-8-4-5-12(17(19)20)11(6-8)13(18)16-10-3-1-2-9(15)7-10/h1-7H,(H,16,18)
InChIKeyQFKIPKYFSQLQJL-UHFFFAOYSA-N
XLogP3.59
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.12
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-difluorophenyl)-5-fluoro-2-nitrobenzamide
CID 51971054
N-(4-ethylphenyl)-5-fluoro-2-nitrobenzamide
CID 60875833
N-(3-chloro-5-fluorophenyl)-5-fluoro-2-nitrobenzamide
CID 103774980
5-fluoro-N-[3-(3-methyl-1,2,4-triazol-4-yl)phenyl]-2-nitrobenzamide
CID 154751509
2,5-difluoro-N-(3-fluorophenyl)-4-nitrobenzamide
CID 115736115
5-fluoro-2-nitro-N-(1H-pyrazol-4-yl)benzamide
CID 60877332
2-nitro-N-[3-[(2-nitrobenzoyl)amino]phenyl]benzamide
CID 4524835
3-chloro-N-(3-iodophenyl)-2-nitrobenzamide
CID 79821868
4-fluoro-N-(3-formylphenyl)-2-nitrobenzamide
CID 106912712
5-fluoro-N-(5-methyl-3-pyridinyl)-2-nitrobenzamide
CID 103738999
N-(4-fluorophenyl)-5-(methylamino)-2-nitrobenzamide
CID 62167428
2,3-difluoro-N-(3-iodophenyl)benzamide
CID 62650350

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(3-iodophenyl)-2-nitrobenzamide?
The IUPAC name of 5-fluoro-N-(3-iodophenyl)-2-nitrobenzamide (CID 60875450) is 5-fluoro-N-(3-iodophenyl)-2-nitrobenzamide.
What is the SMILES notation for 5-fluoro-N-(3-iodophenyl)-2-nitrobenzamide?
The canonical SMILES for 5-fluoro-N-(3-iodophenyl)-2-nitrobenzamide is O=C(Nc1cccc(I)c1)c1cc(F)ccc1[N+](=O)[O-].
What is the InChIKey of 5-fluoro-N-(3-iodophenyl)-2-nitrobenzamide?
The InChIKey is QFKIPKYFSQLQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FIN2O3/c14-8-4-5-12(17(19)20)11(6-8)13(18)16-10-3-1-2-9(15)7-10/h1-7H,(H,16,18).
What are the key properties of 5-fluoro-N-(3-iodophenyl)-2-nitrobenzamide?
5-fluoro-N-(3-iodophenyl)-2-nitrobenzamide has a molecular weight of 386.12 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(3-iodophenyl)-2-nitrobenzamide is sourced from PubChem (CID 60875450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).