2-phenyl-N-[3-(2-phenylethyl)-2H-indazol-5-yl]acetamide

C23H21N3O — CID 46886303

IUPAC2-phenyl-N-[3-(2-phenylethyl)-2H-indazol-5-yl]acetamide
SMILESO=C(Cc1ccccc1)Nc1ccc2n[nH]c(CCc3ccccc3)c2c1
InChIInChI=1S/C23H21N3O/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/h1-10,12,14,16H,11,13,15H2,(H,24,27)(H,25,26)
InChIKeyKSKMLMUSGTXYPW-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.53
Rot. Bonds6

About 2-phenyl-N-[3-(2-phenylethyl)-2H-indazol-5-yl]acetamide

2-phenyl-N-[3-(2-phenylethyl)-2H-indazol-5-yl]acetamide (PubChem CID 46886303) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-phenyl-N-[3-(2-phenylethyl)-2H-indazol-5-yl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[3-(2-phenylethyl)-2H-indazol-5-yl]acetamide
PubChem CID46886303
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC Name2-phenyl-N-[3-(2-phenylethyl)-2H-indazol-5-yl]acetamide
SMILESO=C(Cc1ccccc1)Nc1ccc2n[nH]c(CCc3ccccc3)c2c1
InChIInChI=1S/C23H21N3O/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/h1-10,12,14,16H,11,13,15H2,(H,24,27)(H,25,26)
InChIKeyKSKMLMUSGTXYPW-UHFFFAOYSA-N
XLogP4.53
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.53
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-(2-phenylethyl)-2H-indazol-5-yl]acetamide?
The IUPAC name of 2-phenyl-N-[3-(2-phenylethyl)-2H-indazol-5-yl]acetamide (CID 46886303) is 2-phenyl-N-[3-(2-phenylethyl)-2H-indazol-5-yl]acetamide.
What is the SMILES notation for 2-phenyl-N-[3-(2-phenylethyl)-2H-indazol-5-yl]acetamide?
The canonical SMILES for 2-phenyl-N-[3-(2-phenylethyl)-2H-indazol-5-yl]acetamide is O=C(Cc1ccccc1)Nc1ccc2n[nH]c(CCc3ccccc3)c2c1.
What is the InChIKey of 2-phenyl-N-[3-(2-phenylethyl)-2H-indazol-5-yl]acetamide?
The InChIKey is KSKMLMUSGTXYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/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/h1-10,12,14,16H,11,13,15H2,(H,24,27)(H,25,26).
What are the key properties of 2-phenyl-N-[3-(2-phenylethyl)-2H-indazol-5-yl]acetamide?
2-phenyl-N-[3-(2-phenylethyl)-2H-indazol-5-yl]acetamide has a molecular weight of 355.44 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[3-(2-phenylethyl)-2H-indazol-5-yl]acetamide is sourced from PubChem (CID 46886303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).