4-bromo-N-(1H-indazol-6-yl)-3-methylbenzamide

C15H12BrN3O — CID 115769574

IUPAC4-bromo-N-(1H-indazol-6-yl)-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2ccc3cn[nH]c3c2)ccc1Br
InChIInChI=1S/C15H12BrN3O/c1-9-6-10(3-5-13(9)16)15(20)18-12-4-2-11-8-17-19-14(11)7-12/h2-8H,1H3,(H,17,19)(H,18,20)
InChIKeyIQZMOQWTMJLWRJ-UHFFFAOYSA-N
MW330.19 g/mol
LogP3.89
Rot. Bonds2

About 4-bromo-N-(1H-indazol-6-yl)-3-methylbenzamide

4-bromo-N-(1H-indazol-6-yl)-3-methylbenzamide (PubChem CID 115769574) has the molecular formula C15H12BrN3O and a molecular weight of 330.19 g/mol. Its IUPAC name is 4-bromo-N-(1H-indazol-6-yl)-3-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(1H-indazol-6-yl)-3-methylbenzamide
PubChem CID115769574
Molecular FormulaC15H12BrN3O
Molecular Weight330.19 g/mol
Exact Mass329.02
IUPAC Name4-bromo-N-(1H-indazol-6-yl)-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2ccc3cn[nH]c3c2)ccc1Br
InChIInChI=1S/C15H12BrN3O/c1-9-6-10(3-5-13(9)16)15(20)18-12-4-2-11-8-17-19-14(11)7-12/h2-8H,1H3,(H,17,19)(H,18,20)
InChIKeyIQZMOQWTMJLWRJ-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

N-(1H-indazol-6-yl)-3-methyl-4-nitrobenzamide
CID 36560800
N-(1H-indazol-6-yl)-3,5-dimethylbenzamide
CID 36560760
6-bromo-N-(1H-indazol-6-yl)pyridine-3-carboxamide
CID 66464887
methyl 4-(1H-indazol-6-ylcarbamoyl)benzoate
CID 121088219
5-bromo-N-(1H-indazol-6-yl)-2-methylbenzamide
CID 65311641
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 1H-indazole-6-carboxylate
CID 33056529
5-bromo-N-(1H-indazol-6-yl)-4-methylthiophene-2-carboxamide
CID 79964870
N-(1H-indazol-6-yl)-2H-benzotriazole-5-carboxamide
CID 36561248
N-(5-bromo-2-methylphenyl)-1H-indazole-6-carboxamide
CID 62921443
4-bromo-N-(3,4-dimethylphenyl)-3-methylbenzamide
CID 113396743
4-fluoro-N-(1H-indazol-6-yl)-2-methylbenzamide
CID 115745336
3-fluoro-N-(1H-indazol-6-yl)-4-methoxybenzamide
CID 36561598

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1H-indazol-6-yl)-3-methylbenzamide?
The IUPAC name of 4-bromo-N-(1H-indazol-6-yl)-3-methylbenzamide (CID 115769574) is 4-bromo-N-(1H-indazol-6-yl)-3-methylbenzamide.
What is the SMILES notation for 4-bromo-N-(1H-indazol-6-yl)-3-methylbenzamide?
The canonical SMILES for 4-bromo-N-(1H-indazol-6-yl)-3-methylbenzamide is Cc1cc(C(=O)Nc2ccc3cn[nH]c3c2)ccc1Br.
What is the InChIKey of 4-bromo-N-(1H-indazol-6-yl)-3-methylbenzamide?
The InChIKey is IQZMOQWTMJLWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O/c1-9-6-10(3-5-13(9)16)15(20)18-12-4-2-11-8-17-19-14(11)7-12/h2-8H,1H3,(H,17,19)(H,18,20).
What are the key properties of 4-bromo-N-(1H-indazol-6-yl)-3-methylbenzamide?
4-bromo-N-(1H-indazol-6-yl)-3-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 4-bromo-N-(1H-indazol-6-yl)-3-methylbenzamide is sourced from PubChem (CID 115769574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).