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

C19H19N3O2 — CID 67090200

IUPAC4-[(E)-2-(1H-indazol-3-yl)ethenyl]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(/C=C/c2n[nH]c3ccccc23)cc1
InChIInChI=1S/C19H19N3O2/c1-24-13-12-20-19(23)15-9-6-14(7-10-15)8-11-18-16-4-2-3-5-17(16)21-22-18/h2-11H,12-13H2,1H3,(H,20,23)(H,21,22)/b11-8+
InChIKeyRFJKEUPVSAVIPO-DHZHZOJOSA-N
MW321.38 g/mol
LogP3.11
Rot. Bonds6

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

4-[(E)-2-(1H-indazol-3-yl)ethenyl]-N-(2-methoxyethyl)benzamide (PubChem CID 67090200) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-[(E)-2-(1H-indazol-3-yl)ethenyl]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name4-[(E)-2-(1H-indazol-3-yl)ethenyl]-N-(2-methoxyethyl)benzamide
PubChem CID67090200
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name4-[(E)-2-(1H-indazol-3-yl)ethenyl]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(/C=C/c2n[nH]c3ccccc23)cc1
InChIInChI=1S/C19H19N3O2/c1-24-13-12-20-19(23)15-9-6-14(7-10-15)8-11-18-16-4-2-3-5-17(16)21-22-18/h2-11H,12-13H2,1H3,(H,20,23)(H,21,22)/b11-8+
InChIKeyRFJKEUPVSAVIPO-DHZHZOJOSA-N
XLogP3.11
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-2-(1H-indazol-3-yl)ethenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 67090406
4-formyl-N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]benzamide
CID 86628199
2-hydroxy-1-[4-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoyl]piperazin-1-yl]ethanone
CID 67089995
[4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 67089867
[4-[2-(1H-indazol-3-yl)ethenyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 67089837
2-[4-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 67090329
1-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoyl]-N-methylpiperidine-4-carboxamide
CID 67089780
N-[2-(2-methoxyphenoxy)ethyl]-1H-indazole-3-carboxamide
CID 4785814
[1-[4-[2-(1H-indazol-3-yl)ethenyl]phenyl]-1-oxopropan-2-yl] piperazine-1-carboxylate
CID 174499527
N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-4-methylsulfanylbenzamide
CID 68999306
N,N-diethyl-1-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoyl]piperidine-4-carboxamide
CID 67090044
3-[1-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoyl]piperidin-4-yl]-1,1-dimethylurea
CID 67090064

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(1H-indazol-3-yl)ethenyl]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 4-[(E)-2-(1H-indazol-3-yl)ethenyl]-N-(2-methoxyethyl)benzamide (CID 67090200) is 4-[(E)-2-(1H-indazol-3-yl)ethenyl]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 4-[(E)-2-(1H-indazol-3-yl)ethenyl]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 4-[(E)-2-(1H-indazol-3-yl)ethenyl]-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1ccc(/C=C/c2n[nH]c3ccccc23)cc1.
What is the InChIKey of 4-[(E)-2-(1H-indazol-3-yl)ethenyl]-N-(2-methoxyethyl)benzamide?
The InChIKey is RFJKEUPVSAVIPO-DHZHZOJOSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-24-13-12-20-19(23)15-9-6-14(7-10-15)8-11-18-16-4-2-3-5-17(16)21-22-18/h2-11H,12-13H2,1H3,(H,20,23)(H,21,22)/b11-8+.
What are the key properties of 4-[(E)-2-(1H-indazol-3-yl)ethenyl]-N-(2-methoxyethyl)benzamide?
4-[(E)-2-(1H-indazol-3-yl)ethenyl]-N-(2-methoxyethyl)benzamide has a molecular weight of 321.38 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(1H-indazol-3-yl)ethenyl]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 67090200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).