3-bromo-2-iodo-5-methyl-N-(2-methylpyrazol-3-yl)benzamide

C12H11BrIN3O — CID 170307274

IUPAC3-bromo-2-iodo-5-methyl-N-(2-methylpyrazol-3-yl)benzamide
SMILESCc1cc(Br)c(I)c(C(=O)Nc2ccnn2C)c1
InChIInChI=1S/C12H11BrIN3O/c1-7-5-8(11(14)9(13)6-7)12(18)16-10-3-4-15-17(10)2/h3-6H,1-2H3,(H,16,18)
InChIKeySTJOVRSQEYKJJI-UHFFFAOYSA-N
MW420.05 g/mol
LogP3.35
Rot. Bonds2

About 3-bromo-2-iodo-5-methyl-N-(2-methylpyrazol-3-yl)benzamide

3-bromo-2-iodo-5-methyl-N-(2-methylpyrazol-3-yl)benzamide (PubChem CID 170307274) has the molecular formula C12H11BrIN3O and a molecular weight of 420.05 g/mol. Its IUPAC name is 3-bromo-2-iodo-5-methyl-N-(2-methylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name3-bromo-2-iodo-5-methyl-N-(2-methylpyrazol-3-yl)benzamide
PubChem CID170307274
Molecular FormulaC12H11BrIN3O
Molecular Weight420.05 g/mol
Exact Mass418.91
IUPAC Name3-bromo-2-iodo-5-methyl-N-(2-methylpyrazol-3-yl)benzamide
SMILESCc1cc(Br)c(I)c(C(=O)Nc2ccnn2C)c1
InChIInChI=1S/C12H11BrIN3O/c1-7-5-8(11(14)9(13)6-7)12(18)16-10-3-4-15-17(10)2/h3-6H,1-2H3,(H,16,18)
InChIKeySTJOVRSQEYKJJI-UHFFFAOYSA-N
XLogP3.35
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.05
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-3-methyl-N-(2-methylpyrazol-3-yl)benzamide
CID 103853900
2-methyl-N-(2-methylpyrazol-3-yl)benzamide
CID 66675219
4-bromo-3-chloro-N-(2-methylpyrazol-3-yl)benzamide
CID 81005079
3-hydroxy-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide
CID 81443340
2-amino-N-(2-methylpyrazol-3-yl)-5-nitrobenzamide
CID 62161256
4-hydroxy-3-methyl-N-(2-methylpyrazol-3-yl)benzamide
CID 103956818
4-chloro-N-(2-methylpyrazol-3-yl)pyridine-3-carboxamide
CID 81226455
5-bromo-2-(ethylamino)-N-(2-methylpyrazol-3-yl)pyridine-3-carboxamide
CID 62174779
5-chloro-2-(methylamino)-N-(2-methylpyrazol-3-yl)benzamide
CID 62173538
1-(3-bromo-2-iodo-5-methylphenyl)ethanone
CID 131429622
N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide
CID 110471287
2-bromo-N-(2,5-dimethylpyrazol-3-yl)-5-methylbenzamide
CID 80974367

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-iodo-5-methyl-N-(2-methylpyrazol-3-yl)benzamide?
The IUPAC name of 3-bromo-2-iodo-5-methyl-N-(2-methylpyrazol-3-yl)benzamide (CID 170307274) is 3-bromo-2-iodo-5-methyl-N-(2-methylpyrazol-3-yl)benzamide.
What is the SMILES notation for 3-bromo-2-iodo-5-methyl-N-(2-methylpyrazol-3-yl)benzamide?
The canonical SMILES for 3-bromo-2-iodo-5-methyl-N-(2-methylpyrazol-3-yl)benzamide is Cc1cc(Br)c(I)c(C(=O)Nc2ccnn2C)c1.
What is the InChIKey of 3-bromo-2-iodo-5-methyl-N-(2-methylpyrazol-3-yl)benzamide?
The InChIKey is STJOVRSQEYKJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrIN3O/c1-7-5-8(11(14)9(13)6-7)12(18)16-10-3-4-15-17(10)2/h3-6H,1-2H3,(H,16,18).
What are the key properties of 3-bromo-2-iodo-5-methyl-N-(2-methylpyrazol-3-yl)benzamide?
3-bromo-2-iodo-5-methyl-N-(2-methylpyrazol-3-yl)benzamide has a molecular weight of 420.05 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-iodo-5-methyl-N-(2-methylpyrazol-3-yl)benzamide is sourced from PubChem (CID 170307274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).