N-[5-(3,5-difluorophenoxy)-1H-indazol-3-yl]benzamide

C20H13F2N3O2 — CID 67422710

IUPACN-[5-(3,5-difluorophenoxy)-1H-indazol-3-yl]benzamide
SMILESO=C(Nc1n[nH]c2ccc(Oc3cc(F)cc(F)c3)cc12)c1ccccc1
InChIInChI=1S/C20H13F2N3O2/c21-13-8-14(22)10-16(9-13)27-15-6-7-18-17(11-15)19(25-24-18)23-20(26)12-4-2-1-3-5-12/h1-11H,(H2,23,24,25,26)
InChIKeyOYJUATXSXQLSCS-UHFFFAOYSA-N
MW365.34 g/mol
LogP4.89
Rot. Bonds4

About N-[5-(3,5-difluorophenoxy)-1H-indazol-3-yl]benzamide

N-[5-(3,5-difluorophenoxy)-1H-indazol-3-yl]benzamide (PubChem CID 67422710) has the molecular formula C20H13F2N3O2 and a molecular weight of 365.34 g/mol. Its IUPAC name is N-[5-(3,5-difluorophenoxy)-1H-indazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[5-(3,5-difluorophenoxy)-1H-indazol-3-yl]benzamide
PubChem CID67422710
Molecular FormulaC20H13F2N3O2
Molecular Weight365.34 g/mol
Exact Mass365.10
IUPAC NameN-[5-(3,5-difluorophenoxy)-1H-indazol-3-yl]benzamide
SMILESO=C(Nc1n[nH]c2ccc(Oc3cc(F)cc(F)c3)cc12)c1ccccc1
InChIInChI=1S/C20H13F2N3O2/c21-13-8-14(22)10-16(9-13)27-15-6-7-18-17(11-15)19(25-24-18)23-20(26)12-4-2-1-3-5-12/h1-11H,(H2,23,24,25,26)
InChIKeyOYJUATXSXQLSCS-UHFFFAOYSA-N
XLogP4.89
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-difluorophenoxy)-1H-indazol-3-yl]benzamide?
The IUPAC name of N-[5-(3,5-difluorophenoxy)-1H-indazol-3-yl]benzamide (CID 67422710) is N-[5-(3,5-difluorophenoxy)-1H-indazol-3-yl]benzamide.
What is the SMILES notation for N-[5-(3,5-difluorophenoxy)-1H-indazol-3-yl]benzamide?
The canonical SMILES for N-[5-(3,5-difluorophenoxy)-1H-indazol-3-yl]benzamide is O=C(Nc1n[nH]c2ccc(Oc3cc(F)cc(F)c3)cc12)c1ccccc1.
What is the InChIKey of N-[5-(3,5-difluorophenoxy)-1H-indazol-3-yl]benzamide?
The InChIKey is OYJUATXSXQLSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N3O2/c21-13-8-14(22)10-16(9-13)27-15-6-7-18-17(11-15)19(25-24-18)23-20(26)12-4-2-1-3-5-12/h1-11H,(H2,23,24,25,26).
What are the key properties of N-[5-(3,5-difluorophenoxy)-1H-indazol-3-yl]benzamide?
N-[5-(3,5-difluorophenoxy)-1H-indazol-3-yl]benzamide has a molecular weight of 365.34 g/mol, XLogP of 4.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-difluorophenoxy)-1H-indazol-3-yl]benzamide is sourced from PubChem (CID 67422710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).