N-(3-chlorophenyl)-2-[2,5-dichloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide

C23H14Cl4N2O2 — CID 68911621

About N-(3-chlorophenyl)-2-[2,5-dichloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide

N-(3-chlorophenyl)-2-[2,5-dichloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide (PubChem CID 68911621) has the molecular formula C23H14Cl4N2O2 and a molecular weight of 492.19 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[2,5-dichloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide.

Molecular Properties

• Compound Name: N-(3-chlorophenyl)-2-[2,5-dichloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide
• PubChem CID: 68911621
• Molecular Formula: C23H14Cl4N2O2
• Molecular Weight: 492.19 g/mol
• Exact Mass: 489.98
• IUPAC Name: N-(3-chlorophenyl)-2-[2,5-dichloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide
• SMILES: O=C(Nc1cccc(Cl)c1)C(=O)c1c(Cl)n(Cc2ccc(Cl)cc2)c2ccc(Cl)cc12
• InChI: InChI=1S/C23H14Cl4N2O2/c24-14-6-4-13(5-7-14)12-29-19-9-8-16(26)11-18(19)20(22(29)27)21(30)23(31)28-17-3-1-2-15(25)10-17/h1-11H,12H2,(H,28,31)
• InChIKey: DGJSGPGRXKPTDG-UHFFFAOYSA-N
• XLogP: 7.12
• TPSA: 51.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.19
LogP ≤ 5	7.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[2,5-dichloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide?

The IUPAC name of N-(3-chlorophenyl)-2-[2,5-dichloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide (CID 68911621) is N-(3-chlorophenyl)-2-[2,5-dichloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide.

What is the SMILES notation for N-(3-chlorophenyl)-2-[2,5-dichloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide?

The canonical SMILES for N-(3-chlorophenyl)-2-[2,5-dichloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide is O=C(Nc1cccc(Cl)c1)C(=O)c1c(Cl)n(Cc2ccc(Cl)cc2)c2ccc(Cl)cc12.

What is the InChIKey of N-(3-chlorophenyl)-2-[2,5-dichloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide?

The InChIKey is DGJSGPGRXKPTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Cl4N2O2/c24-14-6-4-13(5-7-14)12-29-19-9-8-16(26)11-18(19)20(22(29)27)21(30)23(31)28-17-3-1-2-15(25)10-17/h1-11H,12H2,(H,28,31).

What are the key properties of N-(3-chlorophenyl)-2-[2,5-dichloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide?

N-(3-chlorophenyl)-2-[2,5-dichloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide has a molecular weight of 492.19 g/mol, XLogP of 7.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chlorophenyl)-2-[2,5-dichloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide is sourced from PubChem (CID 68911621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).