N-(4-bromo-2-fluorophenyl)-2-indazol-1-ylacetamide

C15H11BrFN3O — CID 20885234

IUPACN-(4-bromo-2-fluorophenyl)-2-indazol-1-ylacetamide
SMILESO=C(Cn1ncc2ccccc21)Nc1ccc(Br)cc1F
InChIInChI=1S/C15H11BrFN3O/c16-11-5-6-13(12(17)7-11)19-15(21)9-20-14-4-2-1-3-10(14)8-18-20/h1-8H,9H2,(H,19,21)
InChIKeyAOHRYRHJFOVSGH-UHFFFAOYSA-N
MW348.18 g/mol
LogP3.58
Rot. Bonds3

About N-(4-bromo-2-fluorophenyl)-2-indazol-1-ylacetamide

N-(4-bromo-2-fluorophenyl)-2-indazol-1-ylacetamide (PubChem CID 20885234) has the molecular formula C15H11BrFN3O and a molecular weight of 348.18 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-indazol-1-ylacetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-indazol-1-ylacetamide
PubChem CID20885234
Molecular FormulaC15H11BrFN3O
Molecular Weight348.18 g/mol
Exact Mass347.01
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-indazol-1-ylacetamide
SMILESO=C(Cn1ncc2ccccc21)Nc1ccc(Br)cc1F
InChIInChI=1S/C15H11BrFN3O/c16-11-5-6-13(12(17)7-11)19-15(21)9-20-14-4-2-1-3-10(14)8-18-20/h1-8H,9H2,(H,19,21)
InChIKeyAOHRYRHJFOVSGH-UHFFFAOYSA-N
XLogP3.58
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.18
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-indazol-1-ylacetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-indazol-1-ylacetamide (CID 20885234) is N-(4-bromo-2-fluorophenyl)-2-indazol-1-ylacetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-indazol-1-ylacetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-indazol-1-ylacetamide is O=C(Cn1ncc2ccccc21)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-indazol-1-ylacetamide?
The InChIKey is AOHRYRHJFOVSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFN3O/c16-11-5-6-13(12(17)7-11)19-15(21)9-20-14-4-2-1-3-10(14)8-18-20/h1-8H,9H2,(H,19,21).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-indazol-1-ylacetamide?
N-(4-bromo-2-fluorophenyl)-2-indazol-1-ylacetamide has a molecular weight of 348.18 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-indazol-1-ylacetamide is sourced from PubChem (CID 20885234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).