[2-[(4-fluorophenyl)methyl]indazol-3-yl] benzoate

C21H15FN2O2 — CID 175248492

IUPAC[2-[(4-fluorophenyl)methyl]indazol-3-yl] benzoate
SMILESO=C(Oc1c2ccccc2nn1Cc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C21H15FN2O2/c22-17-12-10-15(11-13-17)14-24-20(18-8-4-5-9-19(18)23-24)26-21(25)16-6-2-1-3-7-16/h1-13H,14H2
InChIKeyNZJHGAONCRGCQT-UHFFFAOYSA-N
MW346.36 g/mol
LogP4.44
Rot. Bonds4

About [2-[(4-fluorophenyl)methyl]indazol-3-yl] benzoate

[2-[(4-fluorophenyl)methyl]indazol-3-yl] benzoate (PubChem CID 175248492) has the molecular formula C21H15FN2O2 and a molecular weight of 346.36 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methyl]indazol-3-yl] benzoate.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methyl]indazol-3-yl] benzoate
PubChem CID175248492
Molecular FormulaC21H15FN2O2
Molecular Weight346.36 g/mol
Exact Mass346.11
IUPAC Name[2-[(4-fluorophenyl)methyl]indazol-3-yl] benzoate
SMILESO=C(Oc1c2ccccc2nn1Cc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C21H15FN2O2/c22-17-12-10-15(11-13-17)14-24-20(18-8-4-5-9-19(18)23-24)26-21(25)16-6-2-1-3-7-16/h1-13H,14H2
InChIKeyNZJHGAONCRGCQT-UHFFFAOYSA-N
XLogP4.44
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methyl]indazol-3-yl] benzoate?
The IUPAC name of [2-[(4-fluorophenyl)methyl]indazol-3-yl] benzoate (CID 175248492) is [2-[(4-fluorophenyl)methyl]indazol-3-yl] benzoate.
What is the SMILES notation for [2-[(4-fluorophenyl)methyl]indazol-3-yl] benzoate?
The canonical SMILES for [2-[(4-fluorophenyl)methyl]indazol-3-yl] benzoate is O=C(Oc1c2ccccc2nn1Cc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of [2-[(4-fluorophenyl)methyl]indazol-3-yl] benzoate?
The InChIKey is NZJHGAONCRGCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O2/c22-17-12-10-15(11-13-17)14-24-20(18-8-4-5-9-19(18)23-24)26-21(25)16-6-2-1-3-7-16/h1-13H,14H2.
What are the key properties of [2-[(4-fluorophenyl)methyl]indazol-3-yl] benzoate?
[2-[(4-fluorophenyl)methyl]indazol-3-yl] benzoate has a molecular weight of 346.36 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methyl]indazol-3-yl] benzoate is sourced from PubChem (CID 175248492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).