N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-2-methylbenzamide

C21H16FN3O — CID 22480085

IUPACN-[3-(4-fluorophenyl)-1H-indazol-5-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C21H16FN3O/c1-13-4-2-3-5-17(13)21(26)23-16-10-11-19-18(12-16)20(25-24-19)14-6-8-15(22)9-7-14/h2-12H,1H3,(H,23,26)(H,24,25)
InChIKeyWEDZUAVNOJHWOG-UHFFFAOYSA-N
MW345.38 g/mol
LogP4.93
Rot. Bonds3

About N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-2-methylbenzamide

N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-2-methylbenzamide (PubChem CID 22480085) has the molecular formula C21H16FN3O and a molecular weight of 345.38 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-1H-indazol-5-yl]-2-methylbenzamide
PubChem CID22480085
Molecular FormulaC21H16FN3O
Molecular Weight345.38 g/mol
Exact Mass345.13
IUPAC NameN-[3-(4-fluorophenyl)-1H-indazol-5-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C21H16FN3O/c1-13-4-2-3-5-17(13)21(26)23-16-10-11-19-18(12-16)20(25-24-19)14-6-8-15(22)9-7-14/h2-12H,1H3,(H,23,26)(H,24,25)
InChIKeyWEDZUAVNOJHWOG-UHFFFAOYSA-N
XLogP4.93
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 54.93
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]-2-methylbenzamide?
The IUPAC name of N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-2-methylbenzamide (CID 22480085) is N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-2-methylbenzamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-2-methylbenzamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1.
What is the InChIKey of N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-2-methylbenzamide?
The InChIKey is WEDZUAVNOJHWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O/c1-13-4-2-3-5-17(13)21(26)23-16-10-11-19-18(12-16)20(25-24-19)14-6-8-15(22)9-7-14/h2-12H,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-2-methylbenzamide?
N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-2-methylbenzamide has a molecular weight of 345.38 g/mol, XLogP of 4.93, 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]-2-methylbenzamide is sourced from PubChem (CID 22480085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).