N-(4-bromo-2-fluorophenyl)-4-methylindazole-1-carboxamide

C15H11BrFN3O — CID 22510442

IUPACN-(4-bromo-2-fluorophenyl)-4-methylindazole-1-carboxamide
SMILESCc1cccc2c1cnn2C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C15H11BrFN3O/c1-9-3-2-4-14-11(9)8-18-20(14)15(21)19-13-6-5-10(16)7-12(13)17/h2-8H,1H3,(H,19,21)
InChIKeyWAZYNBMTLTZHDU-UHFFFAOYSA-N
MW348.18 g/mol
LogP4.33
Rot. Bonds1

About N-(4-bromo-2-fluorophenyl)-4-methylindazole-1-carboxamide

N-(4-bromo-2-fluorophenyl)-4-methylindazole-1-carboxamide (PubChem CID 22510442) has the molecular formula C15H11BrFN3O and a molecular weight of 348.18 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-4-methylindazole-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-4-methylindazole-1-carboxamide
PubChem CID22510442
Molecular FormulaC15H11BrFN3O
Molecular Weight348.18 g/mol
Exact Mass347.01
IUPAC NameN-(4-bromo-2-fluorophenyl)-4-methylindazole-1-carboxamide
SMILESCc1cccc2c1cnn2C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C15H11BrFN3O/c1-9-3-2-4-14-11(9)8-18-20(14)15(21)19-13-6-5-10(16)7-12(13)17/h2-8H,1H3,(H,19,21)
InChIKeyWAZYNBMTLTZHDU-UHFFFAOYSA-N
XLogP4.33
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.18
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-4-methyl-1H-indazole-1-carboxamide
CID 16016793
N-(2-bromophenyl)-4-methyl-1H-indazole-1-carboxamide
CID 22510437
N-(2,5-difluorophenyl)-4-methyl-1H-indazole-1-carboxamide
CID 22510443
N-(2-chlorophenyl)-4-methyl-1H-indazole-1-carboxamide
CID 22510451
1-[(4-bromophenyl)methyl]-3-(1-methyl-1H-indazol-4-yl)urea
CID 24768217
N-(3-fluoro-4-methylphenyl)-4-methyl-1H-indazole-1-carboxamide
CID 22510428
N-(4-phenylbutyl)indazole-1-carboxamide
CID 137649927
1-[(4-bromophenyl)methyl]-3-(2-methyl-2H-indazol-4-yl)urea
CID 24768218
N-(4-bromo-3-methylphenyl)-4-methyl-1H-indazole-1-carboxamide
CID 16016797
4-methyl-N-[3-(trifluoromethyl)phenyl]-1H-indazole-1-carboxamide
CID 6623795
N-(4-bromo-2-fluorophenyl)-2-(1H-indazol-1-yl)acetamide
CID 20885234
N-phenyl-1H-indazole-1-carboxamide
CID 53006427

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-4-methylindazole-1-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-4-methylindazole-1-carboxamide (CID 22510442) is N-(4-bromo-2-fluorophenyl)-4-methylindazole-1-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-4-methylindazole-1-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-4-methylindazole-1-carboxamide is Cc1cccc2c1cnn2C(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-4-methylindazole-1-carboxamide?
The InChIKey is WAZYNBMTLTZHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFN3O/c1-9-3-2-4-14-11(9)8-18-20(14)15(21)19-13-6-5-10(16)7-12(13)17/h2-8H,1H3,(H,19,21).
What are the key properties of N-(4-bromo-2-fluorophenyl)-4-methylindazole-1-carboxamide?
N-(4-bromo-2-fluorophenyl)-4-methylindazole-1-carboxamide has a molecular weight of 348.18 g/mol, XLogP of 4.33, 1 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)-4-methylindazole-1-carboxamide is sourced from PubChem (CID 22510442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).