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

C15H12FN3O — CID 110459272

IUPACN-[3-(4-fluorophenyl)-1H-indazol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C15H12FN3O/c1-9(20)17-12-6-7-14-13(8-12)15(19-18-14)10-2-4-11(16)5-3-10/h2-8H,1H3,(H,17,20)(H,18,19)
InChIKeyCYBIJMYSRQRYEV-UHFFFAOYSA-N
MW269.28 g/mol
LogP3.33
Rot. Bonds2

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

N-[3-(4-fluorophenyl)-1H-indazol-5-yl]acetamide (PubChem CID 110459272) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-1H-indazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-1H-indazol-5-yl]acetamide
PubChem CID110459272
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC NameN-[3-(4-fluorophenyl)-1H-indazol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C15H12FN3O/c1-9(20)17-12-6-7-14-13(8-12)15(19-18-14)10-2-4-11(16)5-3-10/h2-8H,1H3,(H,17,20)(H,18,19)
InChIKeyCYBIJMYSRQRYEV-UHFFFAOYSA-N
XLogP3.33
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 53.33
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]acetamide?
The IUPAC name of N-[3-(4-fluorophenyl)-1H-indazol-5-yl]acetamide (CID 110459272) is N-[3-(4-fluorophenyl)-1H-indazol-5-yl]acetamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-1H-indazol-5-yl]acetamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-1H-indazol-5-yl]acetamide is CC(=O)Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1.
What is the InChIKey of N-[3-(4-fluorophenyl)-1H-indazol-5-yl]acetamide?
The InChIKey is CYBIJMYSRQRYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c1-9(20)17-12-6-7-14-13(8-12)15(19-18-14)10-2-4-11(16)5-3-10/h2-8H,1H3,(H,17,20)(H,18,19).
What are the key properties of N-[3-(4-fluorophenyl)-1H-indazol-5-yl]acetamide?
N-[3-(4-fluorophenyl)-1H-indazol-5-yl]acetamide has a molecular weight of 269.28 g/mol, XLogP of 3.33, 2 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]acetamide is sourced from PubChem (CID 110459272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).