2-[(1R)-1-(1-adamantyl)-2-methanidylpropyl]-4,5,6,7-tetrachloroisoindole-1,3-dione;bis(rhodium)

C22H21Cl4NO2Rh2-2 — CID 59733579

About 2-[(1R)-1-(1-adamantyl)-2-methanidylpropyl]-4,5,6,7-tetrachloroisoindole-1,3-dione;bis(rhodium)

2-[(1R)-1-(1-adamantyl)-2-methanidylpropyl]-4,5,6,7-tetrachloroisoindole-1,3-dione;bis(rhodium) (PubChem CID 59733579) has the molecular formula C22H21Cl4NO2Rh2-2 and a molecular weight of 679.04 g/mol. Its IUPAC name is 2-[(1R)-1-(1-adamantyl)-2-methanidylpropyl]-4,5,6,7-tetrachloroisoindole-1,3-dione;bis(rhodium).

Molecular Properties

• Compound Name: 2-[(1R)-1-(1-adamantyl)-2-methanidylpropyl]-4,5,6,7-tetrachloroisoindole-1,3-dione;bis(rhodium)
• PubChem CID: 59733579
• Molecular Formula: C22H21Cl4NO2Rh2-2
• Molecular Weight: 679.04 g/mol
• Exact Mass: 676.84
• IUPAC Name: 2-[(1R)-1-(1-adamantyl)-2-methanidylpropyl]-4,5,6,7-tetrachloroisoindole-1,3-dione;bis(rhodium)
• SMILES: [CH2-]C([CH2-])[C@@H](N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)C12CC3CC(CC(C3)C1)C2.[Rh].[Rh]
• InChI: InChI=1S/C22H21Cl4NO2.2Rh/c1-9(2)19(22-6-10-3-11(7-22)5-12(4-10)8-22)27-20(28)13-14(21(27)29)16(24)18(26)17(25)15(13)23;;/h9-12,19H,1-8H2;;/q-2;;/t10?,11?,12?,19-,22?;;/m1../s1
• InChIKey: WQYJOUWHXMZPQY-LRHYIVTBSA-N
• XLogP: 6.76
• TPSA: 37.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	679.04
LogP ≤ 5	6.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(1-adamantyl)-2-methanidylpropyl]-4,5,6,7-tetrachloroisoindole-1,3-dione;bis(rhodium)?

The IUPAC name of 2-[(1R)-1-(1-adamantyl)-2-methanidylpropyl]-4,5,6,7-tetrachloroisoindole-1,3-dione;bis(rhodium) (CID 59733579) is 2-[(1R)-1-(1-adamantyl)-2-methanidylpropyl]-4,5,6,7-tetrachloroisoindole-1,3-dione;bis(rhodium).

What is the SMILES notation for 2-[(1R)-1-(1-adamantyl)-2-methanidylpropyl]-4,5,6,7-tetrachloroisoindole-1,3-dione;bis(rhodium)?

The canonical SMILES for 2-[(1R)-1-(1-adamantyl)-2-methanidylpropyl]-4,5,6,7-tetrachloroisoindole-1,3-dione;bis(rhodium) is [CH2-]C([CH2-])[C@@H](N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)C12CC3CC(CC(C3)C1)C2.[Rh].[Rh].

What is the InChIKey of 2-[(1R)-1-(1-adamantyl)-2-methanidylpropyl]-4,5,6,7-tetrachloroisoindole-1,3-dione;bis(rhodium)?

The InChIKey is WQYJOUWHXMZPQY-LRHYIVTBSA-N. The full InChI is InChI=1S/C22H21Cl4NO2.2Rh/c1-9(2)19(22-6-10-3-11(7-22)5-12(4-10)8-22)27-20(28)13-14(21(27)29)16(24)18(26)17(25)15(13)23;;/h9-12,19H,1-8H2;;/q-2;;/t10?,11?,12?,19-,22?;;/m1../s1.

What are the key properties of 2-[(1R)-1-(1-adamantyl)-2-methanidylpropyl]-4,5,6,7-tetrachloroisoindole-1,3-dione;bis(rhodium)?

2-[(1R)-1-(1-adamantyl)-2-methanidylpropyl]-4,5,6,7-tetrachloroisoindole-1,3-dione;bis(rhodium) has a molecular weight of 679.04 g/mol, XLogP of 6.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1R)-1-(1-adamantyl)-2-methanidylpropyl]-4,5,6,7-tetrachloroisoindole-1,3-dione;bis(rhodium) is sourced from PubChem (CID 59733579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).