N-(6-bromo-1H-indazol-3-yl)-2-[3-[2-(2-methylpropoxy)ethoxy]phenyl]acetamide

C21H24BrN3O3 — CID 177233335

IUPACN-(6-bromo-1H-indazol-3-yl)-2-[3-[2-(2-methylpropoxy)ethoxy]phenyl]acetamide
SMILESCC(C)COCCOc1cccc(CC(=O)Nc2n[nH]c3cc(Br)ccc23)c1
InChIInChI=1S/C21H24BrN3O3/c1-14(2)13-27-8-9-28-17-5-3-4-15(10-17)11-20(26)23-21-18-7-6-16(22)12-19(18)24-25-21/h3-7,10,12,14H,8-9,11,13H2,1-2H3,(H2,23,24,25,26)
InChIKeyQLDYILQGQCIEQH-UHFFFAOYSA-N
MW446.35 g/mol
LogP4.56
Rot. Bonds9

About N-(6-bromo-1H-indazol-3-yl)-2-[3-[2-(2-methylpropoxy)ethoxy]phenyl]acetamide

N-(6-bromo-1H-indazol-3-yl)-2-[3-[2-(2-methylpropoxy)ethoxy]phenyl]acetamide (PubChem CID 177233335) has the molecular formula C21H24BrN3O3 and a molecular weight of 446.35 g/mol. Its IUPAC name is N-(6-bromo-1H-indazol-3-yl)-2-[3-[2-(2-methylpropoxy)ethoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-(6-bromo-1H-indazol-3-yl)-2-[3-[2-(2-methylpropoxy)ethoxy]phenyl]acetamide
PubChem CID177233335
Molecular FormulaC21H24BrN3O3
Molecular Weight446.35 g/mol
Exact Mass445.10
IUPAC NameN-(6-bromo-1H-indazol-3-yl)-2-[3-[2-(2-methylpropoxy)ethoxy]phenyl]acetamide
SMILESCC(C)COCCOc1cccc(CC(=O)Nc2n[nH]c3cc(Br)ccc23)c1
InChIInChI=1S/C21H24BrN3O3/c1-14(2)13-27-8-9-28-17-5-3-4-15(10-17)11-20(26)23-21-18-7-6-16(22)12-19(18)24-25-21/h3-7,10,12,14H,8-9,11,13H2,1-2H3,(H2,23,24,25,26)
InChIKeyQLDYILQGQCIEQH-UHFFFAOYSA-N
XLogP4.56
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.35
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(2-fluorophenyl)-1H-indazol-3-yl]-2-(3-methoxyphenyl)acetamide
CID 69061853
N-(1H-indazol-3-yl)-2-(3-methylphenyl)acetamide
CID 62686567
[3-[2-(2-methylpropoxy)ethoxy]phenyl]methanamine
CID 43254178
2-methyl-N-[[3-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 62444557
3-(4-methylpiperazin-1-yl)-N-[6-(2-phenylmethoxyethoxy)-1H-indazol-3-yl]benzamide
CID 70982520
2-(3,4-dimethoxyphenyl)-N-(1H-indazol-3-yl)acetamide
CID 155530819
2-(3-hydroxyphenyl)-N-[2-(2-methylpropoxy)ethyl]acetamide
CID 113229806
2-(2,4-dibromophenoxy)-N-[3-(2-ethoxyethoxy)phenyl]acetamide
CID 19628723
4-(1-methylpiperidin-4-yl)oxy-N-[6-(2-phenylmethoxyethoxy)-1H-indazol-3-yl]benzamide
CID 70982585
2-(3-bromophenoxy)-N'-[2-(2-phenoxyethoxy)acetyl]propanehydrazide
CID 55789410
[3-[2-(2-methylpropoxy)ethoxy]phenyl]boronic acid
CID 54970593
N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-6-yl]-3-methylbutanamide;ethane
CID 177233360

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-1H-indazol-3-yl)-2-[3-[2-(2-methylpropoxy)ethoxy]phenyl]acetamide?
The IUPAC name of N-(6-bromo-1H-indazol-3-yl)-2-[3-[2-(2-methylpropoxy)ethoxy]phenyl]acetamide (CID 177233335) is N-(6-bromo-1H-indazol-3-yl)-2-[3-[2-(2-methylpropoxy)ethoxy]phenyl]acetamide.
What is the SMILES notation for N-(6-bromo-1H-indazol-3-yl)-2-[3-[2-(2-methylpropoxy)ethoxy]phenyl]acetamide?
The canonical SMILES for N-(6-bromo-1H-indazol-3-yl)-2-[3-[2-(2-methylpropoxy)ethoxy]phenyl]acetamide is CC(C)COCCOc1cccc(CC(=O)Nc2n[nH]c3cc(Br)ccc23)c1.
What is the InChIKey of N-(6-bromo-1H-indazol-3-yl)-2-[3-[2-(2-methylpropoxy)ethoxy]phenyl]acetamide?
The InChIKey is QLDYILQGQCIEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrN3O3/c1-14(2)13-27-8-9-28-17-5-3-4-15(10-17)11-20(26)23-21-18-7-6-16(22)12-19(18)24-25-21/h3-7,10,12,14H,8-9,11,13H2,1-2H3,(H2,23,24,25,26).
What are the key properties of N-(6-bromo-1H-indazol-3-yl)-2-[3-[2-(2-methylpropoxy)ethoxy]phenyl]acetamide?
N-(6-bromo-1H-indazol-3-yl)-2-[3-[2-(2-methylpropoxy)ethoxy]phenyl]acetamide has a molecular weight of 446.35 g/mol, XLogP of 4.56, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-1H-indazol-3-yl)-2-[3-[2-(2-methylpropoxy)ethoxy]phenyl]acetamide is sourced from PubChem (CID 177233335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).