2-[6-chloro-5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]-1H-indol-3-yl]-N-methyl-2-oxoacetamide

C24H24ClFN4O3 — CID 142871798

About 2-[6-chloro-5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]-1H-indol-3-yl]-N-methyl-2-oxoacetamide

2-[6-chloro-5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]-1H-indol-3-yl]-N-methyl-2-oxoacetamide (PubChem CID 142871798) has the molecular formula C24H24ClFN4O3 and a molecular weight of 470.93 g/mol. Its IUPAC name is 2-[6-chloro-5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]-1H-indol-3-yl]-N-methyl-2-oxoacetamide.

Molecular Properties

• Compound Name: 2-[6-chloro-5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]-1H-indol-3-yl]-N-methyl-2-oxoacetamide
• PubChem CID: 142871798
• Molecular Formula: C24H24ClFN4O3
• Molecular Weight: 470.93 g/mol
• Exact Mass: 470.15
• IUPAC Name: 2-[6-chloro-5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]-1H-indol-3-yl]-N-methyl-2-oxoacetamide
• SMILES: CNC(=O)C(=O)c1c[nH]c2cc(Cl)c(C(=O)N3CCN(Cc4ccc(F)cc4)C[C@H]3C)cc12
• InChI: InChI=1S/C24H24ClFN4O3/c1-14-12-29(13-15-3-5-16(26)6-4-15)7-8-30(14)24(33)18-9-17-19(22(31)23(32)27-2)11-28-21(17)10-20(18)25/h3-6,9-11,14,28H,7-8,12-13H2,1-2H3,(H,27,32)/t14-/m1/s1
• InChIKey: UCNNTWYJLLGJRE-CQSZACIVSA-N
• XLogP: 3.24
• TPSA: 85.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.93
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]-1H-indol-3-yl]-N-methyl-2-oxoacetamide?

The IUPAC name of 2-[6-chloro-5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]-1H-indol-3-yl]-N-methyl-2-oxoacetamide (CID 142871798) is 2-[6-chloro-5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]-1H-indol-3-yl]-N-methyl-2-oxoacetamide.

What is the SMILES notation for 2-[6-chloro-5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]-1H-indol-3-yl]-N-methyl-2-oxoacetamide?

The canonical SMILES for 2-[6-chloro-5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]-1H-indol-3-yl]-N-methyl-2-oxoacetamide is CNC(=O)C(=O)c1c[nH]c2cc(Cl)c(C(=O)N3CCN(Cc4ccc(F)cc4)C[C@H]3C)cc12.

What is the InChIKey of 2-[6-chloro-5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]-1H-indol-3-yl]-N-methyl-2-oxoacetamide?

The InChIKey is UCNNTWYJLLGJRE-CQSZACIVSA-N. The full InChI is InChI=1S/C24H24ClFN4O3/c1-14-12-29(13-15-3-5-16(26)6-4-15)7-8-30(14)24(33)18-9-17-19(22(31)23(32)27-2)11-28-21(17)10-20(18)25/h3-6,9-11,14,28H,7-8,12-13H2,1-2H3,(H,27,32)/t14-/m1/s1.

What are the key properties of 2-[6-chloro-5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]-1H-indol-3-yl]-N-methyl-2-oxoacetamide?

2-[6-chloro-5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]-1H-indol-3-yl]-N-methyl-2-oxoacetamide has a molecular weight of 470.93 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-chloro-5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]-1H-indol-3-yl]-N-methyl-2-oxoacetamide is sourced from PubChem (CID 142871798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).