N-[4-(5-ethoxy-1H-indazol-3-yl)phenyl]acetamide

C17H17N3O2 — CID 71681990

IUPACN-[4-(5-ethoxy-1H-indazol-3-yl)phenyl]acetamide
SMILESCCOc1ccc2[nH]nc(-c3ccc(NC(C)=O)cc3)c2c1
InChIInChI=1S/C17H17N3O2/c1-3-22-14-8-9-16-15(10-14)17(20-19-16)12-4-6-13(7-5-12)18-11(2)21/h4-10H,3H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyLXGHIBLIRSFIIW-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.59
Rot. Bonds4

About N-[4-(5-ethoxy-1H-indazol-3-yl)phenyl]acetamide

N-[4-(5-ethoxy-1H-indazol-3-yl)phenyl]acetamide (PubChem CID 71681990) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[4-(5-ethoxy-1H-indazol-3-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(5-ethoxy-1H-indazol-3-yl)phenyl]acetamide
PubChem CID71681990
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-[4-(5-ethoxy-1H-indazol-3-yl)phenyl]acetamide
SMILESCCOc1ccc2[nH]nc(-c3ccc(NC(C)=O)cc3)c2c1
InChIInChI=1S/C17H17N3O2/c1-3-22-14-8-9-16-15(10-14)17(20-19-16)12-4-6-13(7-5-12)18-11(2)21/h4-10H,3H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyLXGHIBLIRSFIIW-UHFFFAOYSA-N
XLogP3.59
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-ethoxy-1H-indazol-3-yl)phenyl]acetamide?
The IUPAC name of N-[4-(5-ethoxy-1H-indazol-3-yl)phenyl]acetamide (CID 71681990) is N-[4-(5-ethoxy-1H-indazol-3-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(5-ethoxy-1H-indazol-3-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(5-ethoxy-1H-indazol-3-yl)phenyl]acetamide is CCOc1ccc2[nH]nc(-c3ccc(NC(C)=O)cc3)c2c1.
What is the InChIKey of N-[4-(5-ethoxy-1H-indazol-3-yl)phenyl]acetamide?
The InChIKey is LXGHIBLIRSFIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-3-22-14-8-9-16-15(10-14)17(20-19-16)12-4-6-13(7-5-12)18-11(2)21/h4-10H,3H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-[4-(5-ethoxy-1H-indazol-3-yl)phenyl]acetamide?
N-[4-(5-ethoxy-1H-indazol-3-yl)phenyl]acetamide has a molecular weight of 295.34 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-ethoxy-1H-indazol-3-yl)phenyl]acetamide is sourced from PubChem (CID 71681990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).