2,6-difluoro-N-(fluorocarbamoyl)-N-(4-iodophenyl)benzamide

C14H8F3IN2O2 — CID 57084359

IUPAC2,6-difluoro-N-(fluorocarbamoyl)-N-(4-iodophenyl)benzamide
SMILESO=C(NF)N(C(=O)c1c(F)cccc1F)c1ccc(I)cc1
InChIInChI=1S/C14H8F3IN2O2/c15-10-2-1-3-11(16)12(10)13(21)20(14(22)19-17)9-6-4-8(18)5-7-9/h1-7H,(H,19,22)
InChIKeyZOWOJGNYNPHOFU-UHFFFAOYSA-N
MW420.13 g/mol
LogP3.81
Rot. Bonds2

About 2,6-difluoro-N-(fluorocarbamoyl)-N-(4-iodophenyl)benzamide

2,6-difluoro-N-(fluorocarbamoyl)-N-(4-iodophenyl)benzamide (PubChem CID 57084359) has the molecular formula C14H8F3IN2O2 and a molecular weight of 420.13 g/mol. Its IUPAC name is 2,6-difluoro-N-(fluorocarbamoyl)-N-(4-iodophenyl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(fluorocarbamoyl)-N-(4-iodophenyl)benzamide
PubChem CID57084359
Molecular FormulaC14H8F3IN2O2
Molecular Weight420.13 g/mol
Exact Mass419.96
IUPAC Name2,6-difluoro-N-(fluorocarbamoyl)-N-(4-iodophenyl)benzamide
SMILESO=C(NF)N(C(=O)c1c(F)cccc1F)c1ccc(I)cc1
InChIInChI=1S/C14H8F3IN2O2/c15-10-2-1-3-11(16)12(10)13(21)20(14(22)19-17)9-6-4-8(18)5-7-9/h1-7H,(H,19,22)
InChIKeyZOWOJGNYNPHOFU-UHFFFAOYSA-N
XLogP3.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.13
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(fluorocarbamoyl)-N-(4-iodophenyl)benzamide?
The IUPAC name of 2,6-difluoro-N-(fluorocarbamoyl)-N-(4-iodophenyl)benzamide (CID 57084359) is 2,6-difluoro-N-(fluorocarbamoyl)-N-(4-iodophenyl)benzamide.
What is the SMILES notation for 2,6-difluoro-N-(fluorocarbamoyl)-N-(4-iodophenyl)benzamide?
The canonical SMILES for 2,6-difluoro-N-(fluorocarbamoyl)-N-(4-iodophenyl)benzamide is O=C(NF)N(C(=O)c1c(F)cccc1F)c1ccc(I)cc1.
What is the InChIKey of 2,6-difluoro-N-(fluorocarbamoyl)-N-(4-iodophenyl)benzamide?
The InChIKey is ZOWOJGNYNPHOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3IN2O2/c15-10-2-1-3-11(16)12(10)13(21)20(14(22)19-17)9-6-4-8(18)5-7-9/h1-7H,(H,19,22).
What are the key properties of 2,6-difluoro-N-(fluorocarbamoyl)-N-(4-iodophenyl)benzamide?
2,6-difluoro-N-(fluorocarbamoyl)-N-(4-iodophenyl)benzamide has a molecular weight of 420.13 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(fluorocarbamoyl)-N-(4-iodophenyl)benzamide is sourced from PubChem (CID 57084359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).