2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-N-cyclohexyl-4-methylpentanamide

C27H33Cl2N3O2 — CID 66991650

About 2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-N-cyclohexyl-4-methylpentanamide

2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-N-cyclohexyl-4-methylpentanamide (PubChem CID 66991650) has the molecular formula C27H33Cl2N3O2 and a molecular weight of 502.49 g/mol. Its IUPAC name is 2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-N-cyclohexyl-4-methylpentanamide.

Molecular Properties

• Compound Name: 2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-N-cyclohexyl-4-methylpentanamide
• PubChem CID: 66991650
• Molecular Formula: C27H33Cl2N3O2
• Molecular Weight: 502.49 g/mol
• Exact Mass: 501.19
• IUPAC Name: 2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-N-cyclohexyl-4-methylpentanamide
• SMILES: CC(C)CC(NC1(Cc2cccc(Cl)c2)C(=O)Nc2cc(Cl)ccc21)C(=O)NC1CCCCC1
• InChI: InChI=1S/C27H33Cl2N3O2/c1-17(2)13-24(25(33)30-21-9-4-3-5-10-21)32-27(16-18-7-6-8-19(28)14-18)22-12-11-20(29)15-23(22)31-26(27)34/h6-8,11-12,14-15,17,21,24,32H,3-5,9-10,13,16H2,1-2H3,(H,30,33)(H,31,34)
• InChIKey: CSESXKAKCHGPHO-UHFFFAOYSA-N
• XLogP: 5.84
• TPSA: 70.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.49
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-N-cyclohexyl-4-methylpentanamide?

The IUPAC name of 2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-N-cyclohexyl-4-methylpentanamide (CID 66991650) is 2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-N-cyclohexyl-4-methylpentanamide.

What is the SMILES notation for 2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-N-cyclohexyl-4-methylpentanamide?

The canonical SMILES for 2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-N-cyclohexyl-4-methylpentanamide is CC(C)CC(NC1(Cc2cccc(Cl)c2)C(=O)Nc2cc(Cl)ccc21)C(=O)NC1CCCCC1.

What is the InChIKey of 2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-N-cyclohexyl-4-methylpentanamide?

The InChIKey is CSESXKAKCHGPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33Cl2N3O2/c1-17(2)13-24(25(33)30-21-9-4-3-5-10-21)32-27(16-18-7-6-8-19(28)14-18)22-12-11-20(29)15-23(22)31-26(27)34/h6-8,11-12,14-15,17,21,24,32H,3-5,9-10,13,16H2,1-2H3,(H,30,33)(H,31,34).

What are the key properties of 2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-N-cyclohexyl-4-methylpentanamide?

2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-N-cyclohexyl-4-methylpentanamide has a molecular weight of 502.49 g/mol, XLogP of 5.84, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-N-cyclohexyl-4-methylpentanamide is sourced from PubChem (CID 66991650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).