N-tert-butyl-2-[[1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]cyclohexyl]amino]acetamide

C27H33Cl2N3O2 — CID 68565850

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

N-tert-butyl-2-[[1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]cyclohexyl]amino]acetamide (PubChem CID 68565850) has the molecular formula C27H33Cl2N3O2 and a molecular weight of 502.49 g/mol. Its IUPAC name is N-tert-butyl-2-[[1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]cyclohexyl]amino]acetamide.

Molecular Properties

• Compound Name: N-tert-butyl-2-[[1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]cyclohexyl]amino]acetamide
• PubChem CID: 68565850
• Molecular Formula: C27H33Cl2N3O2
• Molecular Weight: 502.49 g/mol
• Exact Mass: 501.19
• IUPAC Name: N-tert-butyl-2-[[1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]cyclohexyl]amino]acetamide
• SMILES: CC(C)(C)NC(=O)CNC1(C2(Cc3cccc(Cl)c3)C(=O)Nc3cc(Cl)ccc32)CCCCC1
• InChI: InChI=1S/C27H33Cl2N3O2/c1-25(2,3)32-23(33)17-30-26(12-5-4-6-13-26)27(16-18-8-7-9-19(28)14-18)21-11-10-20(29)15-22(21)31-24(27)34/h7-11,14-15,30H,4-6,12-13,16-17H2,1-3H3,(H,31,34)(H,32,33)
• InChIKey: HPNGHBIQJNPCMI-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 70.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.49
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-tert-butyl-2-[[1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]cyclohexyl]amino]acetamide (CID 68565850) is N-tert-butyl-2-[[1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]cyclohexyl]amino]acetamide.

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

The canonical SMILES for N-tert-butyl-2-[[1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]cyclohexyl]amino]acetamide is CC(C)(C)NC(=O)CNC1(C2(Cc3cccc(Cl)c3)C(=O)Nc3cc(Cl)ccc32)CCCCC1.

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

The InChIKey is HPNGHBIQJNPCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33Cl2N3O2/c1-25(2,3)32-23(33)17-30-26(12-5-4-6-13-26)27(16-18-8-7-9-19(28)14-18)21-11-10-20(29)15-22(21)31-24(27)34/h7-11,14-15,30H,4-6,12-13,16-17H2,1-3H3,(H,31,34)(H,32,33).

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

N-tert-butyl-2-[[1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]cyclohexyl]amino]acetamide has a molecular weight of 502.49 g/mol, XLogP of 5.63, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-2-[[1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]cyclohexyl]amino]acetamide is sourced from PubChem (CID 68565850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).