2-(1-benzoyl-2-methylindol-3-yl)-N-[3-(dimethylamino)propyl]acetamide;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide;2-[1-(4-chlorobenzoyl)-2-methylindol-3-yl]acetamide

C60H59Cl2N7O7 — CID 159459239

About 2-(1-benzoyl-2-methylindol-3-yl)-N-[3-(dimethylamino)propyl]acetamide;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide;2-[1-(4-chlorobenzoyl)-2-methylindol-3-yl]acetamide

2-(1-benzoyl-2-methylindol-3-yl)-N-[3-(dimethylamino)propyl]acetamide;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide;2-[1-(4-chlorobenzoyl)-2-methylindol-3-yl]acetamide (PubChem CID 159459239) has the molecular formula C60H59Cl2N7O7 and a molecular weight of 1061.08 g/mol. Its IUPAC name is 2-(1-benzoyl-2-methylindol-3-yl)-N-[3-(dimethylamino)propyl]acetamide;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide;2-[1-(4-chlorobenzoyl)-2-methylindol-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-(1-benzoyl-2-methylindol-3-yl)-N-[3-(dimethylamino)propyl]acetamide;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide;2-[1-(4-chlorobenzoyl)-2-methylindol-3-yl]acetamide
• PubChem CID: 159459239
• Molecular Formula: C60H59Cl2N7O7
• Molecular Weight: 1061.08 g/mol
• Exact Mass: 1059.39
• IUPAC Name: 2-(1-benzoyl-2-methylindol-3-yl)-N-[3-(dimethylamino)propyl]acetamide;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide;2-[1-(4-chlorobenzoyl)-2-methylindol-3-yl]acetamide
• SMILES: COc1ccc2c(c1)c(CC(N)=O)c(C)n2C(=O)c1ccc(Cl)cc1.Cc1c(CC(=O)NCCCN(C)C)c2ccccc2n1C(=O)c1ccccc1.Cc1c(CC(N)=O)c2ccccc2n1C(=O)c1ccc(Cl)cc1
• InChI: InChI=1S/C23H27N3O2.C19H17ClN2O3.C18H15ClN2O2/c1-17-20(16-22(27)24-14-9-15-25(2)3)19-12-7-8-13-21(19)26(17)23(28)18-10-5-4-6-11-18;1-11-15(10-18(21)23)16-9-14(25-2)7-8-17(16)22(11)19(24)12-3-5-13(20)6-4-12;1-11-15(10-17(20)22)14-4-2-3-5-16(14)21(11)18(23)12-6-8-13(19)9-7-12/h4-8,10-13H,9,14-16H2,1-3H3,(H,24,27);3-9H,10H2,1-2H3,(H2,21,23);2-9H,10H2,1H3,(H2,20,22)
• InChIKey: LUJICCDQKUIIFN-UHFFFAOYSA-N
• XLogP: 9.90
• TPSA: 193.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 14
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1061.08
LogP ≤ 5	9.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzoyl-2-methylindol-3-yl)-N-[3-(dimethylamino)propyl]acetamide;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide;2-[1-(4-chlorobenzoyl)-2-methylindol-3-yl]acetamide?

The IUPAC name of 2-(1-benzoyl-2-methylindol-3-yl)-N-[3-(dimethylamino)propyl]acetamide;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide;2-[1-(4-chlorobenzoyl)-2-methylindol-3-yl]acetamide (CID 159459239) is 2-(1-benzoyl-2-methylindol-3-yl)-N-[3-(dimethylamino)propyl]acetamide;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide;2-[1-(4-chlorobenzoyl)-2-methylindol-3-yl]acetamide.

What is the SMILES notation for 2-(1-benzoyl-2-methylindol-3-yl)-N-[3-(dimethylamino)propyl]acetamide;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide;2-[1-(4-chlorobenzoyl)-2-methylindol-3-yl]acetamide?

The canonical SMILES for 2-(1-benzoyl-2-methylindol-3-yl)-N-[3-(dimethylamino)propyl]acetamide;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide;2-[1-(4-chlorobenzoyl)-2-methylindol-3-yl]acetamide is COc1ccc2c(c1)c(CC(N)=O)c(C)n2C(=O)c1ccc(Cl)cc1.Cc1c(CC(=O)NCCCN(C)C)c2ccccc2n1C(=O)c1ccccc1.Cc1c(CC(N)=O)c2ccccc2n1C(=O)c1ccc(Cl)cc1.

What is the InChIKey of 2-(1-benzoyl-2-methylindol-3-yl)-N-[3-(dimethylamino)propyl]acetamide;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide;2-[1-(4-chlorobenzoyl)-2-methylindol-3-yl]acetamide?

The InChIKey is LUJICCDQKUIIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2.C19H17ClN2O3.C18H15ClN2O2/c1-17-20(16-22(27)24-14-9-15-25(2)3)19-12-7-8-13-21(19)26(17)23(28)18-10-5-4-6-11-18;1-11-15(10-18(21)23)16-9-14(25-2)7-8-17(16)22(11)19(24)12-3-5-13(20)6-4-12;1-11-15(10-17(20)22)14-4-2-3-5-16(14)21(11)18(23)12-6-8-13(19)9-7-12/h4-8,10-13H,9,14-16H2,1-3H3,(H,24,27);3-9H,10H2,1-2H3,(H2,21,23);2-9H,10H2,1H3,(H2,20,22).

What are the key properties of 2-(1-benzoyl-2-methylindol-3-yl)-N-[3-(dimethylamino)propyl]acetamide;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide;2-[1-(4-chlorobenzoyl)-2-methylindol-3-yl]acetamide?

2-(1-benzoyl-2-methylindol-3-yl)-N-[3-(dimethylamino)propyl]acetamide;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide;2-[1-(4-chlorobenzoyl)-2-methylindol-3-yl]acetamide has a molecular weight of 1061.08 g/mol, XLogP of 9.90, 14 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-benzoyl-2-methylindol-3-yl)-N-[3-(dimethylamino)propyl]acetamide;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide;2-[1-(4-chlorobenzoyl)-2-methylindol-3-yl]acetamide is sourced from PubChem (CID 159459239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).