2,4-difluoro-6-(2-fluoro-4-iodoanilino)benzamide

C13H8F3IN2O — CID 71580064

IUPAC2,4-difluoro-6-(2-fluoro-4-iodoanilino)benzamide
SMILESNC(=O)c1c(F)cc(F)cc1Nc1ccc(I)cc1F
InChIInChI=1S/C13H8F3IN2O/c14-6-3-9(16)12(13(18)20)11(4-6)19-10-2-1-7(17)5-8(10)15/h1-5,19H,(H2,18,20)
InChIKeyLNWNUFKJPPVYCH-UHFFFAOYSA-N
MW392.12 g/mol
LogP3.55
Rot. Bonds3

About 2,4-difluoro-6-(2-fluoro-4-iodoanilino)benzamide

2,4-difluoro-6-(2-fluoro-4-iodoanilino)benzamide (PubChem CID 71580064) has the molecular formula C13H8F3IN2O and a molecular weight of 392.12 g/mol. Its IUPAC name is 2,4-difluoro-6-(2-fluoro-4-iodoanilino)benzamide.

Molecular Properties

Compound Name2,4-difluoro-6-(2-fluoro-4-iodoanilino)benzamide
PubChem CID71580064
Molecular FormulaC13H8F3IN2O
Molecular Weight392.12 g/mol
Exact Mass391.96
IUPAC Name2,4-difluoro-6-(2-fluoro-4-iodoanilino)benzamide
SMILESNC(=O)c1c(F)cc(F)cc1Nc1ccc(I)cc1F
InChIInChI=1S/C13H8F3IN2O/c14-6-3-9(16)12(13(18)20)11(4-6)19-10-2-1-7(17)5-8(10)15/h1-5,19H,(H2,18,20)
InChIKeyLNWNUFKJPPVYCH-UHFFFAOYSA-N
XLogP3.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.12
LogP ≤ 53.55
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

4-fluoro-2-(2-fluoro-4-iodoanilino)-6-[4-fluoro-3-(sulfamoylamino)phenoxy]benzamide
CID 127040981
2-[3-(2-aminoethyl)phenoxy]-4-fluoro-6-(2-fluoro-4-iodoanilino)benzamide
CID 67413643
[4-[2-carbamoyl-5-fluoro-3-(2-fluoro-4-iodoanilino)phenoxy]cyclohexyl]carbamic acid
CID 140561749
[3-[2-carbamoyl-5-fluoro-3-(2-fluoro-4-iodoanilino)phenoxy]phenyl]carbamic acid
CID 150134423
6-[2-carbamoyl-5-fluoro-3-(2-fluoro-4-iodoanilino)phenoxy]indole-1-carboxylic acid
CID 140561725
2-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide
CID 174673657
3-[[2-carbamoyl-5-fluoro-3-(2-fluoro-4-iodoanilino)phenoxy]methyl]pyrrolidine-1-sulfonic acid
CID 66909221
2-(2-amino-3-cyclopropylsulfonylphenoxy)-4-fluoro-6-(2-fluoro-4-iodoanilino)benzamide
CID 66919704
3-[[2,4-difluoro-6-(2-fluoro-4-iodoanilino)benzoyl]amino]pyrrolidine-1-carboxylic acid
CID 174217224
2-[4-amino-4-(dimethylsulfamoyl)cyclohexyl]oxy-4-fluoro-6-(2-fluoro-4-iodoanilino)benzamide
CID 66919677
2-[1-(benzenesulfonamido)propoxy]-4-fluoro-6-(2-fluoro-4-iodoanilino)benzamide
CID 66919495
2-[3-(cyclopentanecarbonylamino)phenoxy]-4-fluoro-6-(2-fluoro-4-iodoanilino)benzamide
CID 66909312

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-6-(2-fluoro-4-iodoanilino)benzamide?
The IUPAC name of 2,4-difluoro-6-(2-fluoro-4-iodoanilino)benzamide (CID 71580064) is 2,4-difluoro-6-(2-fluoro-4-iodoanilino)benzamide.
What is the SMILES notation for 2,4-difluoro-6-(2-fluoro-4-iodoanilino)benzamide?
The canonical SMILES for 2,4-difluoro-6-(2-fluoro-4-iodoanilino)benzamide is NC(=O)c1c(F)cc(F)cc1Nc1ccc(I)cc1F.
What is the InChIKey of 2,4-difluoro-6-(2-fluoro-4-iodoanilino)benzamide?
The InChIKey is LNWNUFKJPPVYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3IN2O/c14-6-3-9(16)12(13(18)20)11(4-6)19-10-2-1-7(17)5-8(10)15/h1-5,19H,(H2,18,20).
What are the key properties of 2,4-difluoro-6-(2-fluoro-4-iodoanilino)benzamide?
2,4-difluoro-6-(2-fluoro-4-iodoanilino)benzamide has a molecular weight of 392.12 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-(2-fluoro-4-iodoanilino)benzamide is sourced from PubChem (CID 71580064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).