1-(4-ethylbenzoyl)-2-methylindole-3-carbohydrazide

C19H19N3O2 — CID 91690237

IUPAC1-(4-ethylbenzoyl)-2-methylindole-3-carbohydrazide
SMILESCCc1ccc(C(=O)n2c(C)c(C(=O)NN)c3ccccc32)cc1
InChIInChI=1S/C19H19N3O2/c1-3-13-8-10-14(11-9-13)19(24)22-12(2)17(18(23)21-20)15-6-4-5-7-16(15)22/h4-11H,3,20H2,1-2H3,(H,21,23)
InChIKeySJMXDFZPKDKWHW-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.80
Rot. Bonds3

About 1-(4-ethylbenzoyl)-2-methylindole-3-carbohydrazide

1-(4-ethylbenzoyl)-2-methylindole-3-carbohydrazide (PubChem CID 91690237) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-(4-ethylbenzoyl)-2-methylindole-3-carbohydrazide.

Molecular Properties

Compound Name1-(4-ethylbenzoyl)-2-methylindole-3-carbohydrazide
PubChem CID91690237
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name1-(4-ethylbenzoyl)-2-methylindole-3-carbohydrazide
SMILESCCc1ccc(C(=O)n2c(C)c(C(=O)NN)c3ccccc32)cc1
InChIInChI=1S/C19H19N3O2/c1-3-13-8-10-14(11-9-13)19(24)22-12(2)17(18(23)21-20)15-6-4-5-7-16(15)22/h4-11H,3,20H2,1-2H3,(H,21,23)
InChIKeySJMXDFZPKDKWHW-UHFFFAOYSA-N
XLogP2.80
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylbenzoyl)-2-methylindole-3-carbohydrazide?
The IUPAC name of 1-(4-ethylbenzoyl)-2-methylindole-3-carbohydrazide (CID 91690237) is 1-(4-ethylbenzoyl)-2-methylindole-3-carbohydrazide.
What is the SMILES notation for 1-(4-ethylbenzoyl)-2-methylindole-3-carbohydrazide?
The canonical SMILES for 1-(4-ethylbenzoyl)-2-methylindole-3-carbohydrazide is CCc1ccc(C(=O)n2c(C)c(C(=O)NN)c3ccccc32)cc1.
What is the InChIKey of 1-(4-ethylbenzoyl)-2-methylindole-3-carbohydrazide?
The InChIKey is SJMXDFZPKDKWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-3-13-8-10-14(11-9-13)19(24)22-12(2)17(18(23)21-20)15-6-4-5-7-16(15)22/h4-11H,3,20H2,1-2H3,(H,21,23).
What are the key properties of 1-(4-ethylbenzoyl)-2-methylindole-3-carbohydrazide?
1-(4-ethylbenzoyl)-2-methylindole-3-carbohydrazide has a molecular weight of 321.38 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylbenzoyl)-2-methylindole-3-carbohydrazide is sourced from PubChem (CID 91690237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).