3,5-difluoro-4-(4-fluoro-2-iodoanilino)benzoic acid

C13H7F3INO2 — CID 79766747

IUPAC3,5-difluoro-4-(4-fluoro-2-iodoanilino)benzoic acid
SMILESO=C(O)c1cc(F)c(Nc2ccc(F)cc2I)c(F)c1
InChIInChI=1S/C13H7F3INO2/c14-7-1-2-11(10(17)5-7)18-12-8(15)3-6(13(19)20)4-9(12)16/h1-5,18H,(H,19,20)
InChIKeyLFJANGXYQDQKPZ-UHFFFAOYSA-N
MW393.10 g/mol
LogP4.15
Rot. Bonds3

About 3,5-difluoro-4-(4-fluoro-2-iodoanilino)benzoic acid

3,5-difluoro-4-(4-fluoro-2-iodoanilino)benzoic acid (PubChem CID 79766747) has the molecular formula C13H7F3INO2 and a molecular weight of 393.10 g/mol. Its IUPAC name is 3,5-difluoro-4-(4-fluoro-2-iodoanilino)benzoic acid.

Molecular Properties

Compound Name3,5-difluoro-4-(4-fluoro-2-iodoanilino)benzoic acid
PubChem CID79766747
Molecular FormulaC13H7F3INO2
Molecular Weight393.10 g/mol
Exact Mass392.95
IUPAC Name3,5-difluoro-4-(4-fluoro-2-iodoanilino)benzoic acid
SMILESO=C(O)c1cc(F)c(Nc2ccc(F)cc2I)c(F)c1
InChIInChI=1S/C13H7F3INO2/c14-7-1-2-11(10(17)5-7)18-12-8(15)3-6(13(19)20)4-9(12)16/h1-5,18H,(H,19,20)
InChIKeyLFJANGXYQDQKPZ-UHFFFAOYSA-N
XLogP4.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.10
LogP ≤ 54.15
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-(2,4-difluoroanilino)-3,5-difluorobenzoic acid
CID 63183808
4-(2-bromo-4-fluoroanilino)-3,5-difluorobenzoic acid
CID 63537645
3,5-difluoro-4-(4-fluoro-2-methylanilino)benzoic acid
CID 63183976
3-fluoro-2-(4-fluoro-2-iodoanilino)benzoic acid
CID 79766985
2-(4-fluoro-2-iodoanilino)pyridine-4-carboxylic acid
CID 79766331
4-(2,4-dimethylanilino)-3,5-difluorobenzoic acid
CID 63539306
4-(2,5-dichloroanilino)-3,5-difluorobenzoic acid
CID 63528498
4-[(4-fluoro-2-iodoanilino)methyl]benzoic acid
CID 79769454
3,5-difluoro-4-(2,4,5-trichloroanilino)benzoic acid
CID 63526952
6-(4-fluoro-2-iodoanilino)pyridazine-3-carboxylic acid
CID 79767067
5-(4-fluoro-2-iodoanilino)pyridine-2-carboxylic acid
CID 104638940
4-fluoro-N-(4-fluoro-2-iodophenyl)benzamide
CID 79768923

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-(4-fluoro-2-iodoanilino)benzoic acid?
The IUPAC name of 3,5-difluoro-4-(4-fluoro-2-iodoanilino)benzoic acid (CID 79766747) is 3,5-difluoro-4-(4-fluoro-2-iodoanilino)benzoic acid.
What is the SMILES notation for 3,5-difluoro-4-(4-fluoro-2-iodoanilino)benzoic acid?
The canonical SMILES for 3,5-difluoro-4-(4-fluoro-2-iodoanilino)benzoic acid is O=C(O)c1cc(F)c(Nc2ccc(F)cc2I)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-(4-fluoro-2-iodoanilino)benzoic acid?
The InChIKey is LFJANGXYQDQKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3INO2/c14-7-1-2-11(10(17)5-7)18-12-8(15)3-6(13(19)20)4-9(12)16/h1-5,18H,(H,19,20).
What are the key properties of 3,5-difluoro-4-(4-fluoro-2-iodoanilino)benzoic acid?
3,5-difluoro-4-(4-fluoro-2-iodoanilino)benzoic acid has a molecular weight of 393.10 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-(4-fluoro-2-iodoanilino)benzoic acid is sourced from PubChem (CID 79766747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).