2-[2-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]anilino]-N-propan-2-ylacetamide

C26H25Cl2N3O2 — CID 68565540

About 2-[2-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]anilino]-N-propan-2-ylacetamide

2-[2-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]anilino]-N-propan-2-ylacetamide (PubChem CID 68565540) has the molecular formula C26H25Cl2N3O2 and a molecular weight of 482.41 g/mol. Its IUPAC name is 2-[2-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]anilino]-N-propan-2-ylacetamide.

Molecular Properties

• Compound Name: 2-[2-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]anilino]-N-propan-2-ylacetamide
• PubChem CID: 68565540
• Molecular Formula: C26H25Cl2N3O2
• Molecular Weight: 482.41 g/mol
• Exact Mass: 481.13
• IUPAC Name: 2-[2-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]anilino]-N-propan-2-ylacetamide
• SMILES: CC(C)NC(=O)CNc1ccccc1C1(Cc2cccc(Cl)c2)C(=O)Nc2cc(Cl)ccc21
• InChI: InChI=1S/C26H25Cl2N3O2/c1-16(2)30-24(32)15-29-22-9-4-3-8-20(22)26(14-17-6-5-7-18(27)12-17)21-11-10-19(28)13-23(21)31-25(26)33/h3-13,16,29H,14-15H2,1-2H3,(H,30,32)(H,31,33)
• InChIKey: CEPFFFHXJNWBGV-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 70.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.41
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]anilino]-N-propan-2-ylacetamide?

The IUPAC name of 2-[2-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]anilino]-N-propan-2-ylacetamide (CID 68565540) is 2-[2-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]anilino]-N-propan-2-ylacetamide.

What is the SMILES notation for 2-[2-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]anilino]-N-propan-2-ylacetamide?

The canonical SMILES for 2-[2-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]anilino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNc1ccccc1C1(Cc2cccc(Cl)c2)C(=O)Nc2cc(Cl)ccc21.

What is the InChIKey of 2-[2-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]anilino]-N-propan-2-ylacetamide?

The InChIKey is CEPFFFHXJNWBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25Cl2N3O2/c1-16(2)30-24(32)15-29-22-9-4-3-8-20(22)26(14-17-6-5-7-18(27)12-17)21-11-10-19(28)13-23(21)31-25(26)33/h3-13,16,29H,14-15H2,1-2H3,(H,30,32)(H,31,33).

What are the key properties of 2-[2-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]anilino]-N-propan-2-ylacetamide?

2-[2-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]anilino]-N-propan-2-ylacetamide has a molecular weight of 482.41 g/mol, XLogP of 5.41, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]anilino]-N-propan-2-ylacetamide is sourced from PubChem (CID 68565540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).