3-fluoro-N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]benzamide

C22H17F2N3O2 — CID 22260937

IUPAC3-fluoro-N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]benzamide
SMILESCOc1cc2[nH]nc(-c3cccc(F)c3)c2cc1CNC(=O)c1cccc(F)c1
InChIInChI=1S/C22H17F2N3O2/c1-29-20-11-19-18(21(27-26-19)13-4-2-6-16(23)8-13)10-15(20)12-25-22(28)14-5-3-7-17(24)9-14/h2-11H,12H2,1H3,(H,25,28)(H,26,27)
InChIKeyGJHWAAVIYZECKT-UHFFFAOYSA-N
MW393.39 g/mol
LogP4.45
Rot. Bonds5

About 3-fluoro-N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]benzamide

3-fluoro-N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]benzamide (PubChem CID 22260937) has the molecular formula C22H17F2N3O2 and a molecular weight of 393.39 g/mol. Its IUPAC name is 3-fluoro-N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]benzamide
PubChem CID22260937
Molecular FormulaC22H17F2N3O2
Molecular Weight393.39 g/mol
Exact Mass393.13
IUPAC Name3-fluoro-N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]benzamide
SMILESCOc1cc2[nH]nc(-c3cccc(F)c3)c2cc1CNC(=O)c1cccc(F)c1
InChIInChI=1S/C22H17F2N3O2/c1-29-20-11-19-18(21(27-26-19)13-4-2-6-16(23)8-13)10-15(20)12-25-22(28)14-5-3-7-17(24)9-14/h2-11H,12H2,1H3,(H,25,28)(H,26,27)
InChIKeyGJHWAAVIYZECKT-UHFFFAOYSA-N
XLogP4.45
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.39
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]benzamide?
The IUPAC name of 3-fluoro-N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]benzamide (CID 22260937) is 3-fluoro-N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]benzamide?
The canonical SMILES for 3-fluoro-N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]benzamide is COc1cc2[nH]nc(-c3cccc(F)c3)c2cc1CNC(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]benzamide?
The InChIKey is GJHWAAVIYZECKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N3O2/c1-29-20-11-19-18(21(27-26-19)13-4-2-6-16(23)8-13)10-15(20)12-25-22(28)14-5-3-7-17(24)9-14/h2-11H,12H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 3-fluoro-N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]benzamide?
3-fluoro-N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]benzamide has a molecular weight of 393.39 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]benzamide is sourced from PubChem (CID 22260937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).