2-(4-ethylphenoxy)-N-(1H-indazol-5-yl)acetamide

C17H17N3O2 — CID 17148692

IUPAC2-(4-ethylphenoxy)-N-(1H-indazol-5-yl)acetamide
SMILESCCc1ccc(OCC(=O)Nc2ccc3[nH]ncc3c2)cc1
InChIInChI=1S/C17H17N3O2/c1-2-12-3-6-15(7-4-12)22-11-17(21)19-14-5-8-16-13(9-14)10-18-20-16/h3-10H,2,11H2,1H3,(H,18,20)(H,19,21)
InChIKeyCELZHIXUQPISBD-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.14
Rot. Bonds5

About 2-(4-ethylphenoxy)-N-(1H-indazol-5-yl)acetamide

2-(4-ethylphenoxy)-N-(1H-indazol-5-yl)acetamide (PubChem CID 17148692) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-(1H-indazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-(1H-indazol-5-yl)acetamide
PubChem CID17148692
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name2-(4-ethylphenoxy)-N-(1H-indazol-5-yl)acetamide
SMILESCCc1ccc(OCC(=O)Nc2ccc3[nH]ncc3c2)cc1
InChIInChI=1S/C17H17N3O2/c1-2-12-3-6-15(7-4-12)22-11-17(21)19-14-5-8-16-13(9-14)10-18-20-16/h3-10H,2,11H2,1H3,(H,18,20)(H,19,21)
InChIKeyCELZHIXUQPISBD-UHFFFAOYSA-N
XLogP3.14
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-(1H-indazol-5-yl)acetamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-(1H-indazol-5-yl)acetamide (CID 17148692) is 2-(4-ethylphenoxy)-N-(1H-indazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-(1H-indazol-5-yl)acetamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-(1H-indazol-5-yl)acetamide is CCc1ccc(OCC(=O)Nc2ccc3[nH]ncc3c2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-(1H-indazol-5-yl)acetamide?
The InChIKey is CELZHIXUQPISBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-2-12-3-6-15(7-4-12)22-11-17(21)19-14-5-8-16-13(9-14)10-18-20-16/h3-10H,2,11H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 2-(4-ethylphenoxy)-N-(1H-indazol-5-yl)acetamide?
2-(4-ethylphenoxy)-N-(1H-indazol-5-yl)acetamide has a molecular weight of 295.34 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-(1H-indazol-5-yl)acetamide is sourced from PubChem (CID 17148692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).