N'-[2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]propanoyl]-1H-indole-2-carbohydrazide

C34H27N5O3 — CID 3544213

About N'-[2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]propanoyl]-1H-indole-2-carbohydrazide

N'-[2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]propanoyl]-1H-indole-2-carbohydrazide (PubChem CID 3544213) has the molecular formula C34H27N5O3 and a molecular weight of 553.62 g/mol. Its IUPAC name is N'-[2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]propanoyl]-1H-indole-2-carbohydrazide.

Molecular Properties

• Compound Name: N'-[2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]propanoyl]-1H-indole-2-carbohydrazide
• PubChem CID: 3544213
• Molecular Formula: C34H27N5O3
• Molecular Weight: 553.62 g/mol
• Exact Mass: 553.21
• IUPAC Name: N'-[2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]propanoyl]-1H-indole-2-carbohydrazide
• SMILES: CC(C(=O)NNC(=O)c1cc2ccccc2[nH]1)N1C(=O)c2ccccc2C1c1c(-c2ccccc2)[nH]c2ccccc12
• InChI: InChI=1S/C34H27N5O3/c1-20(32(40)37-38-33(41)28-19-22-13-5-9-17-26(22)35-28)39-31(23-14-6-7-15-24(23)34(39)42)29-25-16-8-10-18-27(25)36-30(29)21-11-3-2-4-12-21/h2-20,31,35-36H,1H3,(H,37,40)(H,38,41)
• InChIKey: FSLJBQCFHLCHCA-UHFFFAOYSA-N
• XLogP: 5.71
• TPSA: 110.09 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	553.62
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N'-[2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]propanoyl]-1H-indole-2-carbohydrazide?

The IUPAC name of N'-[2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]propanoyl]-1H-indole-2-carbohydrazide (CID 3544213) is N'-[2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]propanoyl]-1H-indole-2-carbohydrazide.

What is the SMILES notation for N'-[2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]propanoyl]-1H-indole-2-carbohydrazide?

The canonical SMILES for N'-[2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]propanoyl]-1H-indole-2-carbohydrazide is CC(C(=O)NNC(=O)c1cc2ccccc2[nH]1)N1C(=O)c2ccccc2C1c1c(-c2ccccc2)[nH]c2ccccc12.

What is the InChIKey of N'-[2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]propanoyl]-1H-indole-2-carbohydrazide?

The InChIKey is FSLJBQCFHLCHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27N5O3/c1-20(32(40)37-38-33(41)28-19-22-13-5-9-17-26(22)35-28)39-31(23-14-6-7-15-24(23)34(39)42)29-25-16-8-10-18-27(25)36-30(29)21-11-3-2-4-12-21/h2-20,31,35-36H,1H3,(H,37,40)(H,38,41).

What are the key properties of N'-[2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]propanoyl]-1H-indole-2-carbohydrazide?

N'-[2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]propanoyl]-1H-indole-2-carbohydrazide has a molecular weight of 553.62 g/mol, XLogP of 5.71, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]propanoyl]-1H-indole-2-carbohydrazide is sourced from PubChem (CID 3544213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).