N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]acetamide

C16H14FN3O — CID 22260900

IUPACN-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]acetamide
SMILESCC(=O)Nc1cc(C)c2n[nH]c(-c3cccc(F)c3)c2c1
InChIInChI=1S/C16H14FN3O/c1-9-6-13(18-10(2)21)8-14-15(9)19-20-16(14)11-4-3-5-12(17)7-11/h3-8H,1-2H3,(H,18,21)(H,19,20)
InChIKeySACDWAISFUYICI-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.64
Rot. Bonds2

About N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]acetamide

N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]acetamide (PubChem CID 22260900) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]acetamide
PubChem CID22260900
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC NameN-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]acetamide
SMILESCC(=O)Nc1cc(C)c2n[nH]c(-c3cccc(F)c3)c2c1
InChIInChI=1S/C16H14FN3O/c1-9-6-13(18-10(2)21)8-14-15(9)19-20-16(14)11-4-3-5-12(17)7-11/h3-8H,1-2H3,(H,18,21)(H,19,20)
InChIKeySACDWAISFUYICI-UHFFFAOYSA-N
XLogP3.64
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]acetamide?
The IUPAC name of N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]acetamide (CID 22260900) is N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]acetamide.
What is the SMILES notation for N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]acetamide?
The canonical SMILES for N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]acetamide is CC(=O)Nc1cc(C)c2n[nH]c(-c3cccc(F)c3)c2c1.
What is the InChIKey of N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]acetamide?
The InChIKey is SACDWAISFUYICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-9-6-13(18-10(2)21)8-14-15(9)19-20-16(14)11-4-3-5-12(17)7-11/h3-8H,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]acetamide?
N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]acetamide has a molecular weight of 283.31 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]acetamide is sourced from PubChem (CID 22260900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).