2-chloro-N'-[4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide

C24H20Cl2N4O2 — CID 18833018

About 2-chloro-N'-[4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide

2-chloro-N'-[4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide (PubChem CID 18833018) has the molecular formula C24H20Cl2N4O2 and a molecular weight of 467.36 g/mol. Its IUPAC name is 2-chloro-N'-[4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide.

Molecular Properties

• Compound Name: 2-chloro-N'-[4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide
• PubChem CID: 18833018
• Molecular Formula: C24H20Cl2N4O2
• Molecular Weight: 467.36 g/mol
• Exact Mass: 466.10
• IUPAC Name: 2-chloro-N'-[4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide
• SMILES: O=C(CCCc1c(-c2ccccn2)[nH]c2ccc(Cl)cc12)NNC(=O)c1ccccc1Cl
• InChI: InChI=1S/C24H20Cl2N4O2/c25-15-11-12-20-18(14-15)16(23(28-20)21-9-3-4-13-27-21)7-5-10-22(31)29-30-24(32)17-6-1-2-8-19(17)26/h1-4,6,8-9,11-14,28H,5,7,10H2,(H,29,31)(H,30,32)
• InChIKey: VUUPUEDFWBCYFW-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 86.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.36
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide?

The IUPAC name of 2-chloro-N'-[4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide (CID 18833018) is 2-chloro-N'-[4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide.

What is the SMILES notation for 2-chloro-N'-[4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide?

The canonical SMILES for 2-chloro-N'-[4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide is O=C(CCCc1c(-c2ccccn2)[nH]c2ccc(Cl)cc12)NNC(=O)c1ccccc1Cl.

What is the InChIKey of 2-chloro-N'-[4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide?

The InChIKey is VUUPUEDFWBCYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N4O2/c25-15-11-12-20-18(14-15)16(23(28-20)21-9-3-4-13-27-21)7-5-10-22(31)29-30-24(32)17-6-1-2-8-19(17)26/h1-4,6,8-9,11-14,28H,5,7,10H2,(H,29,31)(H,30,32).

What are the key properties of 2-chloro-N'-[4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide?

2-chloro-N'-[4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide has a molecular weight of 467.36 g/mol, XLogP of 5.32, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N'-[4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide is sourced from PubChem (CID 18833018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).