2-fluoro-N-(4-iodophenyl)-5-nitrobenzamide

C13H8FIN2O3 — CID 43377569

IUPAC2-fluoro-N-(4-iodophenyl)-5-nitrobenzamide
SMILESO=C(Nc1ccc(I)cc1)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C13H8FIN2O3/c14-12-6-5-10(17(19)20)7-11(12)13(18)16-9-3-1-8(15)2-4-9/h1-7H,(H,16,18)
InChIKeyVADQLEJWPLOUIV-UHFFFAOYSA-N
MW386.12 g/mol
LogP3.59
Rot. Bonds3

About 2-fluoro-N-(4-iodophenyl)-5-nitrobenzamide

2-fluoro-N-(4-iodophenyl)-5-nitrobenzamide (PubChem CID 43377569) has the molecular formula C13H8FIN2O3 and a molecular weight of 386.12 g/mol. Its IUPAC name is 2-fluoro-N-(4-iodophenyl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-fluoro-N-(4-iodophenyl)-5-nitrobenzamide
PubChem CID43377569
Molecular FormulaC13H8FIN2O3
Molecular Weight386.12 g/mol
Exact Mass385.96
IUPAC Name2-fluoro-N-(4-iodophenyl)-5-nitrobenzamide
SMILESO=C(Nc1ccc(I)cc1)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C13H8FIN2O3/c14-12-6-5-10(17(19)20)7-11(12)13(18)16-9-3-1-8(15)2-4-9/h1-7H,(H,16,18)
InChIKeyVADQLEJWPLOUIV-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-(4-chlorophenyl)-2-fluoro-5-nitrobenzamide
CID 43377429
2-fluoro-N-(4-methylphenyl)-5-nitrobenzamide
CID 43377467
2-iodo-N-(4-iodophenyl)-5-nitrobenzamide
CID 38888111
2-fluoro-5-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 170761389
2-fluoro-5-nitro-N-pyridin-4-ylbenzamide
CID 43377474
N-(4-chloro-2-iodophenyl)-2-fluoro-5-nitrobenzamide
CID 103766905
N-(6-amino-3-pyridinyl)-2-fluoro-5-nitrobenzamide
CID 62901689
N-(4-bromo-3-chlorophenyl)-2-fluoro-5-nitrobenzamide
CID 103824688
2-fluoro-5-nitro-N-(1,2-oxazol-4-yl)benzamide
CID 62415056
2-fluoro-N-methyl-5-nitrobenzamide
CID 43377394
N-(2-cyanophenyl)-2-fluoro-5-nitrobenzamide
CID 43377431
2-bromo-N-(4-fluoro-3-methylphenyl)-5-nitrobenzamide
CID 62812667

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4-iodophenyl)-5-nitrobenzamide?
The IUPAC name of 2-fluoro-N-(4-iodophenyl)-5-nitrobenzamide (CID 43377569) is 2-fluoro-N-(4-iodophenyl)-5-nitrobenzamide.
What is the SMILES notation for 2-fluoro-N-(4-iodophenyl)-5-nitrobenzamide?
The canonical SMILES for 2-fluoro-N-(4-iodophenyl)-5-nitrobenzamide is O=C(Nc1ccc(I)cc1)c1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of 2-fluoro-N-(4-iodophenyl)-5-nitrobenzamide?
The InChIKey is VADQLEJWPLOUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FIN2O3/c14-12-6-5-10(17(19)20)7-11(12)13(18)16-9-3-1-8(15)2-4-9/h1-7H,(H,16,18).
What are the key properties of 2-fluoro-N-(4-iodophenyl)-5-nitrobenzamide?
2-fluoro-N-(4-iodophenyl)-5-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 2-fluoro-N-(4-iodophenyl)-5-nitrobenzamide is sourced from PubChem (CID 43377569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).