2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide

C27H24ClFN2O3 — CID 4857725

About 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide

2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide (PubChem CID 4857725) has the molecular formula C27H24ClFN2O3 and a molecular weight of 478.95 g/mol. Its IUPAC name is 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
• PubChem CID: 4857725
• Molecular Formula: C27H24ClFN2O3
• Molecular Weight: 478.95 g/mol
• Exact Mass: 478.15
• IUPAC Name: 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
• SMILES: COc1ccc2c(c1)c(CC(=O)NCCc1ccc(F)cc1)c(C)n2C(=O)c1ccc(Cl)cc1
• InChI: InChI=1S/C27H24ClFN2O3/c1-17-23(16-26(32)30-14-13-18-3-9-21(29)10-4-18)24-15-22(34-2)11-12-25(24)31(17)27(33)19-5-7-20(28)8-6-19/h3-12,15H,13-14,16H2,1-2H3,(H,30,32)
• InChIKey: IFYXRQRMZFVUAY-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 60.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.95
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide?

The IUPAC name of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide (CID 4857725) is 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide.

What is the SMILES notation for 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide?

The canonical SMILES for 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide is COc1ccc2c(c1)c(CC(=O)NCCc1ccc(F)cc1)c(C)n2C(=O)c1ccc(Cl)cc1.

What is the InChIKey of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide?

The InChIKey is IFYXRQRMZFVUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClFN2O3/c1-17-23(16-26(32)30-14-13-18-3-9-21(29)10-4-18)24-15-22(34-2)11-12-25(24)31(17)27(33)19-5-7-20(28)8-6-19/h3-12,15H,13-14,16H2,1-2H3,(H,30,32).

What are the key properties of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide?

2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 478.95 g/mol, XLogP of 5.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 4857725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).