5-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-3H-1,3,4-oxadiazol-2-one

C14H7F3IN3O2 — CID 59980983

IUPAC5-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(-c2ccc(F)c(F)c2Nc2ccc(I)cc2F)o1
InChIInChI=1S/C14H7F3IN3O2/c15-8-3-2-7(13-20-21-14(22)23-13)12(11(8)17)19-10-4-1-6(18)5-9(10)16/h1-5,19H,(H,21,22)
InChIKeyAMCYZRABMLZFNG-UHFFFAOYSA-N
MW433.13 g/mol
LogP3.80
Rot. Bonds3

About 5-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-3H-1,3,4-oxadiazol-2-one

5-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 59980983) has the molecular formula C14H7F3IN3O2 and a molecular weight of 433.13 g/mol. Its IUPAC name is 5-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-3H-1,3,4-oxadiazol-2-one
PubChem CID59980983
Molecular FormulaC14H7F3IN3O2
Molecular Weight433.13 g/mol
Exact Mass432.95
IUPAC Name5-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(-c2ccc(F)c(F)c2Nc2ccc(I)cc2F)o1
InChIInChI=1S/C14H7F3IN3O2/c15-8-3-2-7(13-20-21-14(22)23-13)12(11(8)17)19-10-4-1-6(18)5-9(10)16/h1-5,19H,(H,21,22)
InChIKeyAMCYZRABMLZFNG-UHFFFAOYSA-N
XLogP3.80
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.13
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-3H-1,3,4-oxadiazol-2-one (CID 59980983) is 5-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-3H-1,3,4-oxadiazol-2-one is O=c1[nH]nc(-c2ccc(F)c(F)c2Nc2ccc(I)cc2F)o1.
What is the InChIKey of 5-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is AMCYZRABMLZFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F3IN3O2/c15-8-3-2-7(13-20-21-14(22)23-13)12(11(8)17)19-10-4-1-6(18)5-9(10)16/h1-5,19H,(H,21,22).
What are the key properties of 5-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-3H-1,3,4-oxadiazol-2-one?
5-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 433.13 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 59980983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).