2-bromo-N-(1H-indazol-7-yl)-5-methylbenzamide

C15H12BrN3O — CID 80979787

IUPAC2-bromo-N-(1H-indazol-7-yl)-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)Nc2cccc3cn[nH]c23)c1
InChIInChI=1S/C15H12BrN3O/c1-9-5-6-12(16)11(7-9)15(20)18-13-4-2-3-10-8-17-19-14(10)13/h2-8H,1H3,(H,17,19)(H,18,20)
InChIKeyBOEFPCSLCHVMPI-UHFFFAOYSA-N
MW330.19 g/mol
LogP3.89
Rot. Bonds2

About 2-bromo-N-(1H-indazol-7-yl)-5-methylbenzamide

2-bromo-N-(1H-indazol-7-yl)-5-methylbenzamide (PubChem CID 80979787) has the molecular formula C15H12BrN3O and a molecular weight of 330.19 g/mol. Its IUPAC name is 2-bromo-N-(1H-indazol-7-yl)-5-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(1H-indazol-7-yl)-5-methylbenzamide
PubChem CID80979787
Molecular FormulaC15H12BrN3O
Molecular Weight330.19 g/mol
Exact Mass329.02
IUPAC Name2-bromo-N-(1H-indazol-7-yl)-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)Nc2cccc3cn[nH]c23)c1
InChIInChI=1S/C15H12BrN3O/c1-9-5-6-12(16)11(7-9)15(20)18-13-4-2-3-10-8-17-19-14(10)13/h2-8H,1H3,(H,17,19)(H,18,20)
InChIKeyBOEFPCSLCHVMPI-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

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Related Compounds

2-amino-N-(1H-indazol-7-yl)-5-methylbenzamide
CID 62060505
N-(1H-indazol-7-yl)-2-(methylamino)benzamide
CID 61376523
2,3-difluoro-N-(1H-indazol-7-yl)benzamide
CID 62661069
4-amino-2-fluoro-N-(1H-indazol-7-yl)benzamide
CID 107794047
2-bromo-N-(3-fluoro-2-methylphenyl)-5-methylbenzamide
CID 81002497
N-(1H-indazol-7-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61260102
2-amino-4-fluoro-N-(1H-indazol-7-yl)benzamide
CID 62060504
2-amino-N-(1H-indazol-7-yl)-4-methoxybenzamide
CID 115412694
2-bromo-N-[2-(1-chloroethyl)phenyl]-5-methylbenzamide
CID 114304970
5-amino-N-(2-bromo-5-methylphenyl)-1H-pyrazole-4-carboxamide
CID 82766729
N-(1H-indazol-7-yl)-2-methylpropanamide
CID 31817153
2-bromo-5-methyl-N-quinolin-5-ylbenzamide
CID 80955712

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1H-indazol-7-yl)-5-methylbenzamide?
The IUPAC name of 2-bromo-N-(1H-indazol-7-yl)-5-methylbenzamide (CID 80979787) is 2-bromo-N-(1H-indazol-7-yl)-5-methylbenzamide.
What is the SMILES notation for 2-bromo-N-(1H-indazol-7-yl)-5-methylbenzamide?
The canonical SMILES for 2-bromo-N-(1H-indazol-7-yl)-5-methylbenzamide is Cc1ccc(Br)c(C(=O)Nc2cccc3cn[nH]c23)c1.
What is the InChIKey of 2-bromo-N-(1H-indazol-7-yl)-5-methylbenzamide?
The InChIKey is BOEFPCSLCHVMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O/c1-9-5-6-12(16)11(7-9)15(20)18-13-4-2-3-10-8-17-19-14(10)13/h2-8H,1H3,(H,17,19)(H,18,20).
What are the key properties of 2-bromo-N-(1H-indazol-7-yl)-5-methylbenzamide?
2-bromo-N-(1H-indazol-7-yl)-5-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 2-bromo-N-(1H-indazol-7-yl)-5-methylbenzamide is sourced from PubChem (CID 80979787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).