N-[3-(4-fluorophenyl)-1H-indazol-5-yl]benzamide

C20H14FN3O — CID 22480267

IUPACN-[3-(4-fluorophenyl)-1H-indazol-5-yl]benzamide
SMILESO=C(Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1)c1ccccc1
InChIInChI=1S/C20H14FN3O/c21-15-8-6-13(7-9-15)19-17-12-16(10-11-18(17)23-24-19)22-20(25)14-4-2-1-3-5-14/h1-12H,(H,22,25)(H,23,24)
InChIKeyCJWNXAIQLCJIJT-UHFFFAOYSA-N
MW331.35 g/mol
LogP4.62
Rot. Bonds3

About N-[3-(4-fluorophenyl)-1H-indazol-5-yl]benzamide

N-[3-(4-fluorophenyl)-1H-indazol-5-yl]benzamide (PubChem CID 22480267) has the molecular formula C20H14FN3O and a molecular weight of 331.35 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-1H-indazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-1H-indazol-5-yl]benzamide
PubChem CID22480267
Molecular FormulaC20H14FN3O
Molecular Weight331.35 g/mol
Exact Mass331.11
IUPAC NameN-[3-(4-fluorophenyl)-1H-indazol-5-yl]benzamide
SMILESO=C(Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1)c1ccccc1
InChIInChI=1S/C20H14FN3O/c21-15-8-6-13(7-9-15)19-17-12-16(10-11-18(17)23-24-19)22-20(25)14-4-2-1-3-5-14/h1-12H,(H,22,25)(H,23,24)
InChIKeyCJWNXAIQLCJIJT-UHFFFAOYSA-N
XLogP4.62
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-1H-indazol-5-yl]benzamide?
The IUPAC name of N-[3-(4-fluorophenyl)-1H-indazol-5-yl]benzamide (CID 22480267) is N-[3-(4-fluorophenyl)-1H-indazol-5-yl]benzamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-1H-indazol-5-yl]benzamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-1H-indazol-5-yl]benzamide is O=C(Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1)c1ccccc1.
What is the InChIKey of N-[3-(4-fluorophenyl)-1H-indazol-5-yl]benzamide?
The InChIKey is CJWNXAIQLCJIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O/c21-15-8-6-13(7-9-15)19-17-12-16(10-11-18(17)23-24-19)22-20(25)14-4-2-1-3-5-14/h1-12H,(H,22,25)(H,23,24).
What are the key properties of N-[3-(4-fluorophenyl)-1H-indazol-5-yl]benzamide?
N-[3-(4-fluorophenyl)-1H-indazol-5-yl]benzamide has a molecular weight of 331.35 g/mol, XLogP of 4.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-1H-indazol-5-yl]benzamide is sourced from PubChem (CID 22480267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).