4-fluoro-2-(2-fluoro-4-iodoanilino)-6-(1H-indazol-6-yloxy)benzamide

C20H13F2IN4O2 — CID 71579966

IUPAC4-fluoro-2-(2-fluoro-4-iodoanilino)-6-(1H-indazol-6-yloxy)benzamide
SMILESNC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1Oc1ccc2cn[nH]c2c1
InChIInChI=1S/C20H13F2IN4O2/c21-11-5-17(26-15-4-2-12(23)7-14(15)22)19(20(24)28)18(6-11)29-13-3-1-10-9-25-27-16(10)8-13/h1-9,26H,(H2,24,28)(H,25,27)
InChIKeyUVTXWUYDGCBNOT-UHFFFAOYSA-N
MW506.25 g/mol
LogP5.08
Rot. Bonds5

About 4-fluoro-2-(2-fluoro-4-iodoanilino)-6-(1H-indazol-6-yloxy)benzamide

4-fluoro-2-(2-fluoro-4-iodoanilino)-6-(1H-indazol-6-yloxy)benzamide (PubChem CID 71579966) has the molecular formula C20H13F2IN4O2 and a molecular weight of 506.25 g/mol. Its IUPAC name is 4-fluoro-2-(2-fluoro-4-iodoanilino)-6-(1H-indazol-6-yloxy)benzamide.

Molecular Properties

Compound Name4-fluoro-2-(2-fluoro-4-iodoanilino)-6-(1H-indazol-6-yloxy)benzamide
PubChem CID71579966
Molecular FormulaC20H13F2IN4O2
Molecular Weight506.25 g/mol
Exact Mass506.01
IUPAC Name4-fluoro-2-(2-fluoro-4-iodoanilino)-6-(1H-indazol-6-yloxy)benzamide
SMILESNC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1Oc1ccc2cn[nH]c2c1
InChIInChI=1S/C20H13F2IN4O2/c21-11-5-17(26-15-4-2-12(23)7-14(15)22)19(20(24)28)18(6-11)29-13-3-1-10-9-25-27-16(10)8-13/h1-9,26H,(H2,24,28)(H,25,27)
InChIKeyUVTXWUYDGCBNOT-UHFFFAOYSA-N
XLogP5.08
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.25
LogP ≤ 55.08
H-Bond Donors ≤ 53
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 4-fluoro-2-(2-fluoro-4-iodoanilino)-6-(1H-indazol-6-yloxy)benzamide?
The IUPAC name of 4-fluoro-2-(2-fluoro-4-iodoanilino)-6-(1H-indazol-6-yloxy)benzamide (CID 71579966) is 4-fluoro-2-(2-fluoro-4-iodoanilino)-6-(1H-indazol-6-yloxy)benzamide.
What is the SMILES notation for 4-fluoro-2-(2-fluoro-4-iodoanilino)-6-(1H-indazol-6-yloxy)benzamide?
The canonical SMILES for 4-fluoro-2-(2-fluoro-4-iodoanilino)-6-(1H-indazol-6-yloxy)benzamide is NC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1Oc1ccc2cn[nH]c2c1.
What is the InChIKey of 4-fluoro-2-(2-fluoro-4-iodoanilino)-6-(1H-indazol-6-yloxy)benzamide?
The InChIKey is UVTXWUYDGCBNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2IN4O2/c21-11-5-17(26-15-4-2-12(23)7-14(15)22)19(20(24)28)18(6-11)29-13-3-1-10-9-25-27-16(10)8-13/h1-9,26H,(H2,24,28)(H,25,27).
What are the key properties of 4-fluoro-2-(2-fluoro-4-iodoanilino)-6-(1H-indazol-6-yloxy)benzamide?
4-fluoro-2-(2-fluoro-4-iodoanilino)-6-(1H-indazol-6-yloxy)benzamide has a molecular weight of 506.25 g/mol, XLogP of 5.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(2-fluoro-4-iodoanilino)-6-(1H-indazol-6-yloxy)benzamide is sourced from PubChem (CID 71579966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).