N-(4-bromo-3-methylphenyl)-2-indazol-1-ylacetamide

C16H14BrN3O — CID 20885240

IUPACN-(4-bromo-3-methylphenyl)-2-indazol-1-ylacetamide
SMILESCc1cc(NC(=O)Cn2ncc3ccccc32)ccc1Br
InChIInChI=1S/C16H14BrN3O/c1-11-8-13(6-7-14(11)17)19-16(21)10-20-15-5-3-2-4-12(15)9-18-20/h2-9H,10H2,1H3,(H,19,21)
InChIKeyIJOPAGFIYAUCQB-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.75
Rot. Bonds3

About N-(4-bromo-3-methylphenyl)-2-indazol-1-ylacetamide

N-(4-bromo-3-methylphenyl)-2-indazol-1-ylacetamide (PubChem CID 20885240) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-indazol-1-ylacetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-indazol-1-ylacetamide
PubChem CID20885240
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC NameN-(4-bromo-3-methylphenyl)-2-indazol-1-ylacetamide
SMILESCc1cc(NC(=O)Cn2ncc3ccccc32)ccc1Br
InChIInChI=1S/C16H14BrN3O/c1-11-8-13(6-7-14(11)17)19-16(21)10-20-15-5-3-2-4-12(15)9-18-20/h2-9H,10H2,1H3,(H,19,21)
InChIKeyIJOPAGFIYAUCQB-UHFFFAOYSA-N
XLogP3.75
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethylphenyl)-2-indazol-1-ylacetamide
CID 20885361
5-[(2-indazol-1-ylacetyl)amino]-2-methylbenzoic acid
CID 75469207
N-(4-bromo-3-methylphenyl)-2-indol-1-ylacetamide
CID 4058006
2-indazol-1-yl-N-(4-methylsulfinylphenyl)acetamide
CID 71994539
N-(5-amino-2-methylphenyl)-2-indazol-1-ylacetamide
CID 62141660
N-(4-bromo-3-methylphenyl)-2-(4-bromopyrazol-1-yl)acetamide
CID 47263148
N-[4-(2-hydroxyethoxy)phenyl]-2-indazol-1-ylacetamide
CID 111116081
ethyl 4-[(2-indazol-1-ylacetyl)amino]-1H-pyrrole-2-carboxylate
CID 71869717
2-indazol-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 131952566
N-(4-bromo-3-methylphenyl)-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide
CID 46420592
N-(3-chloro-2-methylphenyl)-2-indazol-1-ylacetamide
CID 20885235
N-(3-amino-2-methylphenyl)-2-indazol-1-ylacetamide
CID 62141857

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-indazol-1-ylacetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-indazol-1-ylacetamide (CID 20885240) is N-(4-bromo-3-methylphenyl)-2-indazol-1-ylacetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-indazol-1-ylacetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-indazol-1-ylacetamide is Cc1cc(NC(=O)Cn2ncc3ccccc32)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-indazol-1-ylacetamide?
The InChIKey is IJOPAGFIYAUCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O/c1-11-8-13(6-7-14(11)17)19-16(21)10-20-15-5-3-2-4-12(15)9-18-20/h2-9H,10H2,1H3,(H,19,21).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-indazol-1-ylacetamide?
N-(4-bromo-3-methylphenyl)-2-indazol-1-ylacetamide has a molecular weight of 344.21 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-indazol-1-ylacetamide is sourced from PubChem (CID 20885240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).