2-[2-(1H-indazol-3-yl)ethenyl]-N-phenylbenzamide

C22H17N3O — CID 68996590

IUPAC2-[2-(1H-indazol-3-yl)ethenyl]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccccc1C=Cc1n[nH]c2ccccc12
InChIInChI=1S/C22H17N3O/c26-22(23-17-9-2-1-3-10-17)18-11-5-4-8-16(18)14-15-21-19-12-6-7-13-20(19)24-25-21/h1-15H,(H,23,26)(H,24,25)
InChIKeyXWQPHIVTGDSEGC-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.99
Rot. Bonds4

About 2-[2-(1H-indazol-3-yl)ethenyl]-N-phenylbenzamide

2-[2-(1H-indazol-3-yl)ethenyl]-N-phenylbenzamide (PubChem CID 68996590) has the molecular formula C22H17N3O and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-[2-(1H-indazol-3-yl)ethenyl]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[2-(1H-indazol-3-yl)ethenyl]-N-phenylbenzamide
PubChem CID68996590
Molecular FormulaC22H17N3O
Molecular Weight339.40 g/mol
Exact Mass339.14
IUPAC Name2-[2-(1H-indazol-3-yl)ethenyl]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccccc1C=Cc1n[nH]c2ccccc12
InChIInChI=1S/C22H17N3O/c26-22(23-17-9-2-1-3-10-17)18-11-5-4-8-16(18)14-15-21-19-12-6-7-13-20(19)24-25-21/h1-15H,(H,23,26)(H,24,25)
InChIKeyXWQPHIVTGDSEGC-UHFFFAOYSA-N
XLogP4.99
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-hydroxy-2-[(E)-2-(1H-indazol-3-yl)ethenyl]benzenecarboximidamide
CID 173127897
4-formyl-N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]benzamide
CID 86628199
N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-5-methylthiophene-2-carboxamide
CID 68999169
3-[2-(2-methylphenyl)ethenyl]-1H-indazole
CID 69049104
N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-4-methylsulfanylbenzamide
CID 68999306
5-bromo-N-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]thiophene-2-carboxamide
CID 68999664
N-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]cyclobutanecarboxamide
CID 68999694
N-[3-[[3-[(E)-2-(1H-indazol-4-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide
CID 67552693
N-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]benzenesulfonamide
CID 69002102
4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoic acid
CID 11437002
5-acetamido-N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]thiophene-2-carboxamide
CID 68999027
2-ethenyl-N-phenylbenzamide
CID 12541487

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-indazol-3-yl)ethenyl]-N-phenylbenzamide?
The IUPAC name of 2-[2-(1H-indazol-3-yl)ethenyl]-N-phenylbenzamide (CID 68996590) is 2-[2-(1H-indazol-3-yl)ethenyl]-N-phenylbenzamide.
What is the SMILES notation for 2-[2-(1H-indazol-3-yl)ethenyl]-N-phenylbenzamide?
The canonical SMILES for 2-[2-(1H-indazol-3-yl)ethenyl]-N-phenylbenzamide is O=C(Nc1ccccc1)c1ccccc1C=Cc1n[nH]c2ccccc12.
What is the InChIKey of 2-[2-(1H-indazol-3-yl)ethenyl]-N-phenylbenzamide?
The InChIKey is XWQPHIVTGDSEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O/c26-22(23-17-9-2-1-3-10-17)18-11-5-4-8-16(18)14-15-21-19-12-6-7-13-20(19)24-25-21/h1-15H,(H,23,26)(H,24,25).
What are the key properties of 2-[2-(1H-indazol-3-yl)ethenyl]-N-phenylbenzamide?
2-[2-(1H-indazol-3-yl)ethenyl]-N-phenylbenzamide has a molecular weight of 339.40 g/mol, XLogP of 4.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-indazol-3-yl)ethenyl]-N-phenylbenzamide is sourced from PubChem (CID 68996590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).