5-bromo-N-(1H-indazol-6-yl)-2-methylbenzamide

C15H12BrN3O — CID 65311641

IUPAC5-bromo-N-(1H-indazol-6-yl)-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C15H12BrN3O/c1-9-2-4-11(16)6-13(9)15(20)18-12-5-3-10-8-17-19-14(10)7-12/h2-8H,1H3,(H,17,19)(H,18,20)
InChIKeyLIBPLUBRXQCWPU-UHFFFAOYSA-N
MW330.19 g/mol
LogP3.89
Rot. Bonds2

About 5-bromo-N-(1H-indazol-6-yl)-2-methylbenzamide

5-bromo-N-(1H-indazol-6-yl)-2-methylbenzamide (PubChem CID 65311641) has the molecular formula C15H12BrN3O and a molecular weight of 330.19 g/mol. Its IUPAC name is 5-bromo-N-(1H-indazol-6-yl)-2-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N-(1H-indazol-6-yl)-2-methylbenzamide
PubChem CID65311641
Molecular FormulaC15H12BrN3O
Molecular Weight330.19 g/mol
Exact Mass329.02
IUPAC Name5-bromo-N-(1H-indazol-6-yl)-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C15H12BrN3O/c1-9-2-4-11(16)6-13(9)15(20)18-12-5-3-10-8-17-19-14(10)7-12/h2-8H,1H3,(H,17,19)(H,18,20)
InChIKeyLIBPLUBRXQCWPU-UHFFFAOYSA-N
XLogP3.89
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-bromo-N-(1H-indazol-6-yl)-2-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-(1H-indazol-5-yl)-2-methylbenzamide
CID 65311684
4-fluoro-N-(1H-indazol-6-yl)-2-methylbenzamide
CID 115745336
4-bromo-N-(1H-indazol-6-yl)-3-methylbenzamide
CID 115769574
1-(4-bromophenyl)-3-(1H-indazol-6-yl)urea
CID 108869291
N-(1H-indazol-6-yl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 110763744
5-bromo-N-(1H-indazol-6-yl)-4-methylthiophene-2-carboxamide
CID 79964870
N-(5-bromo-2-methylphenyl)-1H-indazole-6-carboxamide
CID 62921443
5-bromo-N-(1H-indazol-6-yl)-1H-indazole-3-carboxamide
CID 117073881
2-fluoro-N-(1H-indazol-6-yl)-5-methylbenzamide
CID 62512997
N-(1H-indazol-6-yl)-3,5-dimethylbenzamide
CID 36560760
5-bromo-N-(1H-indol-5-yl)-2-methylbenzamide
CID 65309477
N-(1H-indazol-6-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 110698951

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1H-indazol-6-yl)-2-methylbenzamide?
The IUPAC name of 5-bromo-N-(1H-indazol-6-yl)-2-methylbenzamide (CID 65311641) is 5-bromo-N-(1H-indazol-6-yl)-2-methylbenzamide.
What is the SMILES notation for 5-bromo-N-(1H-indazol-6-yl)-2-methylbenzamide?
The canonical SMILES for 5-bromo-N-(1H-indazol-6-yl)-2-methylbenzamide is Cc1ccc(Br)cc1C(=O)Nc1ccc2cn[nH]c2c1.
What is the InChIKey of 5-bromo-N-(1H-indazol-6-yl)-2-methylbenzamide?
The InChIKey is LIBPLUBRXQCWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O/c1-9-2-4-11(16)6-13(9)15(20)18-12-5-3-10-8-17-19-14(10)7-12/h2-8H,1H3,(H,17,19)(H,18,20).
What are the key properties of 5-bromo-N-(1H-indazol-6-yl)-2-methylbenzamide?
5-bromo-N-(1H-indazol-6-yl)-2-methylbenzamide has a molecular weight of 330.19 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1H-indazol-6-yl)-2-methylbenzamide is sourced from PubChem (CID 65311641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).