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

C27H31Cl2N3O2 — CID 68567306

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

2-[[1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]cyclohexyl]amino]-N-cyclobutylacetamide (PubChem CID 68567306) has the molecular formula C27H31Cl2N3O2 and a molecular weight of 500.47 g/mol. Its IUPAC name is 2-[[1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]cyclohexyl]amino]-N-cyclobutylacetamide.

Molecular Properties

• Compound Name: 2-[[1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]cyclohexyl]amino]-N-cyclobutylacetamide
• PubChem CID: 68567306
• Molecular Formula: C27H31Cl2N3O2
• Molecular Weight: 500.47 g/mol
• Exact Mass: 499.18
• IUPAC Name: 2-[[1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]cyclohexyl]amino]-N-cyclobutylacetamide
• SMILES: O=C(CNC1(C2(Cc3cccc(Cl)c3)C(=O)Nc3cc(Cl)ccc32)CCCCC1)NC1CCC1
• InChI: InChI=1S/C27H31Cl2N3O2/c28-19-7-4-6-18(14-19)16-27(22-11-10-20(29)15-23(22)32-25(27)34)26(12-2-1-3-13-26)30-17-24(33)31-21-8-5-9-21/h4,6-7,10-11,14-15,21,30H,1-3,5,8-9,12-13,16-17H2,(H,31,33)(H,32,34)
• InChIKey: MKFCCRNTDQKNGL-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 70.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.47
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 2-[[1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]cyclohexyl]amino]-N-cyclobutylacetamide (CID 68567306) is 2-[[1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]cyclohexyl]amino]-N-cyclobutylacetamide.

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

The canonical SMILES for 2-[[1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]cyclohexyl]amino]-N-cyclobutylacetamide is O=C(CNC1(C2(Cc3cccc(Cl)c3)C(=O)Nc3cc(Cl)ccc32)CCCCC1)NC1CCC1.

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

The InChIKey is MKFCCRNTDQKNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31Cl2N3O2/c28-19-7-4-6-18(14-19)16-27(22-11-10-20(29)15-23(22)32-25(27)34)26(12-2-1-3-13-26)30-17-24(33)31-21-8-5-9-21/h4,6-7,10-11,14-15,21,30H,1-3,5,8-9,12-13,16-17H2,(H,31,33)(H,32,34).

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

2-[[1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]cyclohexyl]amino]-N-cyclobutylacetamide has a molecular weight of 500.47 g/mol, XLogP of 5.39, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]cyclohexyl]amino]-N-cyclobutylacetamide is sourced from PubChem (CID 68567306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).