4-bromo-N-(1H-indazol-3-yl)-2-methylbenzamide

C15H12BrN3O — CID 61068511

IUPAC4-bromo-N-(1H-indazol-3-yl)-2-methylbenzamide
SMILESCc1cc(Br)ccc1C(=O)Nc1n[nH]c2ccccc12
InChIInChI=1S/C15H12BrN3O/c1-9-8-10(16)6-7-11(9)15(20)17-14-12-4-2-3-5-13(12)18-19-14/h2-8H,1H3,(H2,17,18,19,20)
InChIKeyFDGDUJYWXNWKRE-UHFFFAOYSA-N
MW330.19 g/mol
LogP3.89
Rot. Bonds2

About 4-bromo-N-(1H-indazol-3-yl)-2-methylbenzamide

4-bromo-N-(1H-indazol-3-yl)-2-methylbenzamide (PubChem CID 61068511) has the molecular formula C15H12BrN3O and a molecular weight of 330.19 g/mol. Its IUPAC name is 4-bromo-N-(1H-indazol-3-yl)-2-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(1H-indazol-3-yl)-2-methylbenzamide
PubChem CID61068511
Molecular FormulaC15H12BrN3O
Molecular Weight330.19 g/mol
Exact Mass329.02
IUPAC Name4-bromo-N-(1H-indazol-3-yl)-2-methylbenzamide
SMILESCc1cc(Br)ccc1C(=O)Nc1n[nH]c2ccccc12
InChIInChI=1S/C15H12BrN3O/c1-9-8-10(16)6-7-11(9)15(20)17-14-12-4-2-3-5-13(12)18-19-14/h2-8H,1H3,(H2,17,18,19,20)
InChIKeyFDGDUJYWXNWKRE-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-(1,2-benzothiazol-3-yl)-4-bromo-2-methylbenzamide
CID 156781458
N-(1H-indazol-3-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 115875596
4-bromo-N-(1H-indazol-3-yl)-1-methylpyrrole-2-carboxamide
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6-bromo-N-(1H-indazol-3-yl)-1-benzofuran-2-carboxamide
CID 112527825
N-(1H-indazol-3-yl)-3-methylfuran-2-carboxamide
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2,5-dichloro-N-(1H-indazol-3-yl)benzamide
CID 60729962
4-bromo-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 63818565
1-(4-bromophenyl)-3-(1H-indazol-3-yl)urea
CID 25197647
4-chloro-N-(1H-indazol-3-yl)benzamide
CID 12913046
N-(1H-indazol-3-yl)-2-methylsulfanylpyridine-3-carboxamide
CID 60729732
5-bromo-N-(1H-indazol-3-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112527867
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CID 62686211

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1H-indazol-3-yl)-2-methylbenzamide?
The IUPAC name of 4-bromo-N-(1H-indazol-3-yl)-2-methylbenzamide (CID 61068511) is 4-bromo-N-(1H-indazol-3-yl)-2-methylbenzamide.
What is the SMILES notation for 4-bromo-N-(1H-indazol-3-yl)-2-methylbenzamide?
The canonical SMILES for 4-bromo-N-(1H-indazol-3-yl)-2-methylbenzamide is Cc1cc(Br)ccc1C(=O)Nc1n[nH]c2ccccc12.
What is the InChIKey of 4-bromo-N-(1H-indazol-3-yl)-2-methylbenzamide?
The InChIKey is FDGDUJYWXNWKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O/c1-9-8-10(16)6-7-11(9)15(20)17-14-12-4-2-3-5-13(12)18-19-14/h2-8H,1H3,(H2,17,18,19,20).
What are the key properties of 4-bromo-N-(1H-indazol-3-yl)-2-methylbenzamide?
4-bromo-N-(1H-indazol-3-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 4-bromo-N-(1H-indazol-3-yl)-2-methylbenzamide is sourced from PubChem (CID 61068511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).