2,4-dichloro-N-[(2R)-3-methyl-1-oxo-1-[(2Z)-2-[(1-propan-2-ylindol-3-yl)methylidene]hydrazinyl]butan-2-yl]benzamide

C24H26Cl2N4O2 — CID 126165383

About 2,4-dichloro-N-[(2R)-3-methyl-1-oxo-1-[(2Z)-2-[(1-propan-2-ylindol-3-yl)methylidene]hydrazinyl]butan-2-yl]benzamide

2,4-dichloro-N-[(2R)-3-methyl-1-oxo-1-[(2Z)-2-[(1-propan-2-ylindol-3-yl)methylidene]hydrazinyl]butan-2-yl]benzamide (PubChem CID 126165383) has the molecular formula C24H26Cl2N4O2 and a molecular weight of 473.40 g/mol. Its IUPAC name is 2,4-dichloro-N-[(2R)-3-methyl-1-oxo-1-[(2Z)-2-[(1-propan-2-ylindol-3-yl)methylidene]hydrazinyl]butan-2-yl]benzamide.

Molecular Properties

• Compound Name: 2,4-dichloro-N-[(2R)-3-methyl-1-oxo-1-[(2Z)-2-[(1-propan-2-ylindol-3-yl)methylidene]hydrazinyl]butan-2-yl]benzamide
• PubChem CID: 126165383
• Molecular Formula: C24H26Cl2N4O2
• Molecular Weight: 473.40 g/mol
• Exact Mass: 472.14
• IUPAC Name: 2,4-dichloro-N-[(2R)-3-methyl-1-oxo-1-[(2Z)-2-[(1-propan-2-ylindol-3-yl)methylidene]hydrazinyl]butan-2-yl]benzamide
• SMILES: CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N/N=C\c1cn(C(C)C)c2ccccc12
• InChI: InChI=1S/C24H26Cl2N4O2/c1-14(2)22(28-23(31)19-10-9-17(25)11-20(19)26)24(32)29-27-12-16-13-30(15(3)4)21-8-6-5-7-18(16)21/h5-15,22H,1-4H3,(H,28,31)(H,29,32)/b27-12-/t22-/m1/s1
• InChIKey: UWZLYFKTYHODSQ-BOGNPUBTSA-N
• XLogP: 5.43
• TPSA: 75.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.40
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(2R)-3-methyl-1-oxo-1-[(2Z)-2-[(1-propan-2-ylindol-3-yl)methylidene]hydrazinyl]butan-2-yl]benzamide?

The IUPAC name of 2,4-dichloro-N-[(2R)-3-methyl-1-oxo-1-[(2Z)-2-[(1-propan-2-ylindol-3-yl)methylidene]hydrazinyl]butan-2-yl]benzamide (CID 126165383) is 2,4-dichloro-N-[(2R)-3-methyl-1-oxo-1-[(2Z)-2-[(1-propan-2-ylindol-3-yl)methylidene]hydrazinyl]butan-2-yl]benzamide.

What is the SMILES notation for 2,4-dichloro-N-[(2R)-3-methyl-1-oxo-1-[(2Z)-2-[(1-propan-2-ylindol-3-yl)methylidene]hydrazinyl]butan-2-yl]benzamide?

The canonical SMILES for 2,4-dichloro-N-[(2R)-3-methyl-1-oxo-1-[(2Z)-2-[(1-propan-2-ylindol-3-yl)methylidene]hydrazinyl]butan-2-yl]benzamide is CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N/N=C\c1cn(C(C)C)c2ccccc12.

What is the InChIKey of 2,4-dichloro-N-[(2R)-3-methyl-1-oxo-1-[(2Z)-2-[(1-propan-2-ylindol-3-yl)methylidene]hydrazinyl]butan-2-yl]benzamide?

The InChIKey is UWZLYFKTYHODSQ-BOGNPUBTSA-N. The full InChI is InChI=1S/C24H26Cl2N4O2/c1-14(2)22(28-23(31)19-10-9-17(25)11-20(19)26)24(32)29-27-12-16-13-30(15(3)4)21-8-6-5-7-18(16)21/h5-15,22H,1-4H3,(H,28,31)(H,29,32)/b27-12-/t22-/m1/s1.

What are the key properties of 2,4-dichloro-N-[(2R)-3-methyl-1-oxo-1-[(2Z)-2-[(1-propan-2-ylindol-3-yl)methylidene]hydrazinyl]butan-2-yl]benzamide?

2,4-dichloro-N-[(2R)-3-methyl-1-oxo-1-[(2Z)-2-[(1-propan-2-ylindol-3-yl)methylidene]hydrazinyl]butan-2-yl]benzamide has a molecular weight of 473.40 g/mol, XLogP of 5.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dichloro-N-[(2R)-3-methyl-1-oxo-1-[(2Z)-2-[(1-propan-2-ylindol-3-yl)methylidene]hydrazinyl]butan-2-yl]benzamide is sourced from PubChem (CID 126165383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).