4-formyl-N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]benzamide

C23H17N3O2 — CID 86628199

IUPAC4-formyl-N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]benzamide
SMILESO=Cc1ccc(C(=O)Nc2ccccc2/C=C/c2n[nH]c3ccccc23)cc1
InChIInChI=1S/C23H17N3O2/c27-15-16-9-11-18(12-10-16)23(28)24-20-7-3-1-5-17(20)13-14-22-19-6-2-4-8-21(19)25-26-22/h1-15H,(H,24,28)(H,25,26)/b14-13+
InChIKeyVNWBZDXVMYLQAV-BUHFOSPRSA-N
MW367.41 g/mol
LogP4.80
Rot. Bonds5

About 4-formyl-N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]benzamide

4-formyl-N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]benzamide (PubChem CID 86628199) has the molecular formula C23H17N3O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 4-formyl-N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]benzamide.

Molecular Properties

Compound Name4-formyl-N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]benzamide
PubChem CID86628199
Molecular FormulaC23H17N3O2
Molecular Weight367.41 g/mol
Exact Mass367.13
IUPAC Name4-formyl-N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]benzamide
SMILESO=Cc1ccc(C(=O)Nc2ccccc2/C=C/c2n[nH]c3ccccc23)cc1
InChIInChI=1S/C23H17N3O2/c27-15-16-9-11-18(12-10-16)23(28)24-20-7-3-1-5-17(20)13-14-22-19-6-2-4-8-21(19)25-26-22/h1-15H,(H,24,28)(H,25,26)/b14-13+
InChIKeyVNWBZDXVMYLQAV-BUHFOSPRSA-N
XLogP4.80
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-4-methylsulfanylbenzamide
CID 68999306
N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-5-methylthiophene-2-carboxamide
CID 68999169
N-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]cyclobutanecarboxamide
CID 68999694
5-bromo-N-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]thiophene-2-carboxamide
CID 68999664
5-acetamido-N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]thiophene-2-carboxamide
CID 68999027
4-bromo-N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-3-methylthiophene-2-carboxamide
CID 69000757
N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]thieno[3,2-b]thiophene-5-carboxamide
CID 68998412
N-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]thieno[3,2-b]thiophene-5-carboxamide
CID 68998416
4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoic acid
CID 11437002
2-[2-(1H-indazol-3-yl)ethenyl]-N-phenylbenzamide
CID 68996590
N-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]benzenesulfonamide
CID 69002102
4-[2-(1H-indazol-3-yl)ethenyl]-3-[(1-methylpyrrole-2-carbonyl)amino]benzoic acid
CID 69001401

Frequently Asked Questions

What is the IUPAC name of 4-formyl-N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]benzamide?
The IUPAC name of 4-formyl-N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]benzamide (CID 86628199) is 4-formyl-N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]benzamide.
What is the SMILES notation for 4-formyl-N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]benzamide?
The canonical SMILES for 4-formyl-N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]benzamide is O=Cc1ccc(C(=O)Nc2ccccc2/C=C/c2n[nH]c3ccccc23)cc1.
What is the InChIKey of 4-formyl-N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]benzamide?
The InChIKey is VNWBZDXVMYLQAV-BUHFOSPRSA-N. The full InChI is InChI=1S/C23H17N3O2/c27-15-16-9-11-18(12-10-16)23(28)24-20-7-3-1-5-17(20)13-14-22-19-6-2-4-8-21(19)25-26-22/h1-15H,(H,24,28)(H,25,26)/b14-13+.
What are the key properties of 4-formyl-N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]benzamide?
4-formyl-N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]benzamide has a molecular weight of 367.41 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formyl-N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]benzamide is sourced from PubChem (CID 86628199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).