2-phenyl-N-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]acetamide

C23H19N3O — CID 46886304

IUPAC2-phenyl-N-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]acetamide
SMILESO=C(Cc1ccccc1)Nc1ccc2[nH]nc(/C=C/c3ccccc3)c2c1
InChIInChI=1S/C23H19N3O/c27-23(15-18-9-5-2-6-10-18)24-19-12-14-22-20(16-19)21(25-26-22)13-11-17-7-3-1-4-8-17/h1-14,16H,15H2,(H,24,27)(H,25,26)/b13-11+
InChIKeyZXYXKCCIXNHDNE-ACCUITESSA-N
MW353.43 g/mol
LogP4.91
Rot. Bonds5

About 2-phenyl-N-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]acetamide

2-phenyl-N-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]acetamide (PubChem CID 46886304) has the molecular formula C23H19N3O and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-phenyl-N-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]acetamide
PubChem CID46886304
Molecular FormulaC23H19N3O
Molecular Weight353.43 g/mol
Exact Mass353.15
IUPAC Name2-phenyl-N-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]acetamide
SMILESO=C(Cc1ccccc1)Nc1ccc2[nH]nc(/C=C/c3ccccc3)c2c1
InChIInChI=1S/C23H19N3O/c27-23(15-18-9-5-2-6-10-18)24-19-12-14-22-20(16-19)21(25-26-22)13-11-17-7-3-1-4-8-17/h1-14,16H,15H2,(H,24,27)(H,25,26)/b13-11+
InChIKeyZXYXKCCIXNHDNE-ACCUITESSA-N
XLogP4.91
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]acetamide?
The IUPAC name of 2-phenyl-N-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]acetamide (CID 46886304) is 2-phenyl-N-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]acetamide.
What is the SMILES notation for 2-phenyl-N-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]acetamide?
The canonical SMILES for 2-phenyl-N-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]acetamide is O=C(Cc1ccccc1)Nc1ccc2[nH]nc(/C=C/c3ccccc3)c2c1.
What is the InChIKey of 2-phenyl-N-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]acetamide?
The InChIKey is ZXYXKCCIXNHDNE-ACCUITESSA-N. The full InChI is InChI=1S/C23H19N3O/c27-23(15-18-9-5-2-6-10-18)24-19-12-14-22-20(16-19)21(25-26-22)13-11-17-7-3-1-4-8-17/h1-14,16H,15H2,(H,24,27)(H,25,26)/b13-11+.
What are the key properties of 2-phenyl-N-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]acetamide?
2-phenyl-N-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]acetamide has a molecular weight of 353.43 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]acetamide is sourced from PubChem (CID 46886304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).