N-(3-bromo-4-fluorophenyl)-1-methylindazole-3-carboxamide

C15H11BrFN3O — CID 103118370

IUPACN-(3-bromo-4-fluorophenyl)-1-methylindazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(F)c(Br)c2)c2ccccc21
InChIInChI=1S/C15H11BrFN3O/c1-20-13-5-3-2-4-10(13)14(19-20)15(21)18-9-6-7-12(17)11(16)8-9/h2-8H,1H3,(H,18,21)
InChIKeyZOZLHFPBYDJQEI-UHFFFAOYSA-N
MW348.18 g/mol
LogP3.73
Rot. Bonds2

About N-(3-bromo-4-fluorophenyl)-1-methylindazole-3-carboxamide

N-(3-bromo-4-fluorophenyl)-1-methylindazole-3-carboxamide (PubChem CID 103118370) has the molecular formula C15H11BrFN3O and a molecular weight of 348.18 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-1-methylindazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)-1-methylindazole-3-carboxamide
PubChem CID103118370
Molecular FormulaC15H11BrFN3O
Molecular Weight348.18 g/mol
Exact Mass347.01
IUPAC NameN-(3-bromo-4-fluorophenyl)-1-methylindazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(F)c(Br)c2)c2ccccc21
InChIInChI=1S/C15H11BrFN3O/c1-20-13-5-3-2-4-10(13)14(19-20)15(21)18-9-6-7-12(17)11(16)8-9/h2-8H,1H3,(H,18,21)
InChIKeyZOZLHFPBYDJQEI-UHFFFAOYSA-N
XLogP3.73
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.18
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)-1-methylindazole-3-carboxamide?
The IUPAC name of N-(3-bromo-4-fluorophenyl)-1-methylindazole-3-carboxamide (CID 103118370) is N-(3-bromo-4-fluorophenyl)-1-methylindazole-3-carboxamide.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)-1-methylindazole-3-carboxamide?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)-1-methylindazole-3-carboxamide is Cn1nc(C(=O)Nc2ccc(F)c(Br)c2)c2ccccc21.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)-1-methylindazole-3-carboxamide?
The InChIKey is ZOZLHFPBYDJQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFN3O/c1-20-13-5-3-2-4-10(13)14(19-20)15(21)18-9-6-7-12(17)11(16)8-9/h2-8H,1H3,(H,18,21).
What are the key properties of N-(3-bromo-4-fluorophenyl)-1-methylindazole-3-carboxamide?
N-(3-bromo-4-fluorophenyl)-1-methylindazole-3-carboxamide has a molecular weight of 348.18 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-fluorophenyl)-1-methylindazole-3-carboxamide is sourced from PubChem (CID 103118370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).