N-[(2-bromophenyl)methyl]-2-(6-methylindazol-1-yl)acetamide

C17H16BrN3O — CID 22509900

IUPACN-[(2-bromophenyl)methyl]-2-(6-methylindazol-1-yl)acetamide
SMILESCc1ccc2cnn(CC(=O)NCc3ccccc3Br)c2c1
InChIInChI=1S/C17H16BrN3O/c1-12-6-7-14-10-20-21(16(14)8-12)11-17(22)19-9-13-4-2-3-5-15(13)18/h2-8,10H,9,11H2,1H3,(H,19,22)
InChIKeyLWDOOUQMKXJMMP-UHFFFAOYSA-N
MW358.24 g/mol
LogP3.42
Rot. Bonds4

About N-[(2-bromophenyl)methyl]-2-(6-methylindazol-1-yl)acetamide

N-[(2-bromophenyl)methyl]-2-(6-methylindazol-1-yl)acetamide (PubChem CID 22509900) has the molecular formula C17H16BrN3O and a molecular weight of 358.24 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-2-(6-methylindazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-2-(6-methylindazol-1-yl)acetamide
PubChem CID22509900
Molecular FormulaC17H16BrN3O
Molecular Weight358.24 g/mol
Exact Mass357.05
IUPAC NameN-[(2-bromophenyl)methyl]-2-(6-methylindazol-1-yl)acetamide
SMILESCc1ccc2cnn(CC(=O)NCc3ccccc3Br)c2c1
InChIInChI=1S/C17H16BrN3O/c1-12-6-7-14-10-20-21(16(14)8-12)11-17(22)19-9-13-4-2-3-5-15(13)18/h2-8,10H,9,11H2,1H3,(H,19,22)
InChIKeyLWDOOUQMKXJMMP-UHFFFAOYSA-N
XLogP3.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.24
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-methylindazol-1-yl)-N-(3-phenylpropyl)acetamide
CID 22509817
N-(3-methoxypropyl)-2-(6-methylindazol-1-yl)acetamide
CID 22509905
2-(6-methylindazol-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide
CID 22509892
N-[2-(4-chlorophenyl)ethyl]-2-(6-methylindazol-1-yl)acetamide
CID 22509911
2-(6-aminoindazol-1-yl)-N-benzylacetamide
CID 22693453
N-[(4-methylphenyl)methyl]-2-(6-nitroindazol-1-yl)acetamide
CID 16797364
N-(3,5-dimethylphenyl)-2-indazol-1-ylacetamide
CID 20885361
N-(4-bromo-3-methylphenyl)-2-indazol-1-ylacetamide
CID 20885240
N-[(2-bromophenyl)methyl]acetamide
CID 2824953
N-[(2-bromophenyl)methyl]-3-(4-methylphenyl)propanamide
CID 60739656
2-(4,8-dimethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 20884692
methyl 5-amino-1-[2-[(2-bromophenyl)methylamino]-2-oxoethyl]triazole-4-carboxylate
CID 112707356

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-2-(6-methylindazol-1-yl)acetamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-2-(6-methylindazol-1-yl)acetamide (CID 22509900) is N-[(2-bromophenyl)methyl]-2-(6-methylindazol-1-yl)acetamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-2-(6-methylindazol-1-yl)acetamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-2-(6-methylindazol-1-yl)acetamide is Cc1ccc2cnn(CC(=O)NCc3ccccc3Br)c2c1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-2-(6-methylindazol-1-yl)acetamide?
The InChIKey is LWDOOUQMKXJMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O/c1-12-6-7-14-10-20-21(16(14)8-12)11-17(22)19-9-13-4-2-3-5-15(13)18/h2-8,10H,9,11H2,1H3,(H,19,22).
What are the key properties of N-[(2-bromophenyl)methyl]-2-(6-methylindazol-1-yl)acetamide?
N-[(2-bromophenyl)methyl]-2-(6-methylindazol-1-yl)acetamide has a molecular weight of 358.24 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-2-(6-methylindazol-1-yl)acetamide is sourced from PubChem (CID 22509900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).