2-[1-amino-5-[(2R)-4-benzhydryl-2-methylpiperazine-1-carbonyl]-6-chloroindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[(2R)-4-benzhydryl-2-methylpiperazine-1-carbonyl]-6-chloro-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;O-diphenylphosphorylhydroxylamine

C74H75Cl2N10O8P — CID 162036687

About 2-[1-amino-5-[(2R)-4-benzhydryl-2-methylpiperazine-1-carbonyl]-6-chloroindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[(2R)-4-benzhydryl-2-methylpiperazine-1-carbonyl]-6-chloro-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;O-diphenylphosphorylhydroxylamine

2-[1-amino-5-[(2R)-4-benzhydryl-2-methylpiperazine-1-carbonyl]-6-chloroindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[(2R)-4-benzhydryl-2-methylpiperazine-1-carbonyl]-6-chloro-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;O-diphenylphosphorylhydroxylamine (PubChem CID 162036687) has the molecular formula C74H75Cl2N10O8P and a molecular weight of 1334.36 g/mol. Its IUPAC name is 2-[1-amino-5-[(2R)-4-benzhydryl-2-methylpiperazine-1-carbonyl]-6-chloroindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[(2R)-4-benzhydryl-2-methylpiperazine-1-carbonyl]-6-chloro-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;O-diphenylphosphorylhydroxylamine.

Molecular Properties

• Compound Name: 2-[1-amino-5-[(2R)-4-benzhydryl-2-methylpiperazine-1-carbonyl]-6-chloroindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[(2R)-4-benzhydryl-2-methylpiperazine-1-carbonyl]-6-chloro-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;O-diphenylphosphorylhydroxylamine
• PubChem CID: 162036687
• Molecular Formula: C74H75Cl2N10O8P
• Molecular Weight: 1334.36 g/mol
• Exact Mass: 1332.49
• IUPAC Name: 2-[1-amino-5-[(2R)-4-benzhydryl-2-methylpiperazine-1-carbonyl]-6-chloroindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[(2R)-4-benzhydryl-2-methylpiperazine-1-carbonyl]-6-chloro-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;O-diphenylphosphorylhydroxylamine
• SMILES: C[C@@H]1CN(C(c2ccccc2)c2ccccc2)CCN1C(=O)c1cc2c(C(=O)C(=O)N(C)C)c[nH]c2cc1Cl.C[C@@H]1CN(C(c2ccccc2)c2ccccc2)CCN1C(=O)c1cc2c(C(=O)C(=O)N(C)C)cn(N)c2cc1Cl.NOP(=O)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C31H32ClN5O3.C31H31ClN4O3.C12H12NO2P/c1-20-18-35(28(21-10-6-4-7-11-21)22-12-8-5-9-13-22)14-15-36(20)30(39)24-16-23-25(29(38)31(40)34(2)3)19-37(33)27(23)17-26(24)32;1-20-19-35(28(21-10-6-4-7-11-21)22-12-8-5-9-13-22)14-15-36(20)30(38)24-16-23-25(29(37)31(39)34(2)3)18-33-27(23)17-26(24)32;13-15-16(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h4-13,16-17,19-20,28H,14-15,18,33H2,1-3H3;4-13,16-18,20,28,33H,14-15,19H2,1-3H3;1-10H,13H2/t2*20-;/m11./s1
• InChIKey: YWSWZLUXOZNAIS-BEUCPQIGSA-N
• XLogP: 11.05
• TPSA: 220.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 15
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1334.36
LogP ≤ 5	11.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[1-amino-5-[(2R)-4-benzhydryl-2-methylpiperazine-1-carbonyl]-6-chloroindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[(2R)-4-benzhydryl-2-methylpiperazine-1-carbonyl]-6-chloro-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;O-diphenylphosphorylhydroxylamine?

The IUPAC name of 2-[1-amino-5-[(2R)-4-benzhydryl-2-methylpiperazine-1-carbonyl]-6-chloroindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[(2R)-4-benzhydryl-2-methylpiperazine-1-carbonyl]-6-chloro-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;O-diphenylphosphorylhydroxylamine (CID 162036687) is 2-[1-amino-5-[(2R)-4-benzhydryl-2-methylpiperazine-1-carbonyl]-6-chloroindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[(2R)-4-benzhydryl-2-methylpiperazine-1-carbonyl]-6-chloro-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;O-diphenylphosphorylhydroxylamine.

What is the SMILES notation for 2-[1-amino-5-[(2R)-4-benzhydryl-2-methylpiperazine-1-carbonyl]-6-chloroindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[(2R)-4-benzhydryl-2-methylpiperazine-1-carbonyl]-6-chloro-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;O-diphenylphosphorylhydroxylamine?

The canonical SMILES for 2-[1-amino-5-[(2R)-4-benzhydryl-2-methylpiperazine-1-carbonyl]-6-chloroindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[(2R)-4-benzhydryl-2-methylpiperazine-1-carbonyl]-6-chloro-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;O-diphenylphosphorylhydroxylamine is C[C@@H]1CN(C(c2ccccc2)c2ccccc2)CCN1C(=O)c1cc2c(C(=O)C(=O)N(C)C)c[nH]c2cc1Cl.C[C@@H]1CN(C(c2ccccc2)c2ccccc2)CCN1C(=O)c1cc2c(C(=O)C(=O)N(C)C)cn(N)c2cc1Cl.NOP(=O)(c1ccccc1)c1ccccc1.

What is the InChIKey of 2-[1-amino-5-[(2R)-4-benzhydryl-2-methylpiperazine-1-carbonyl]-6-chloroindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[(2R)-4-benzhydryl-2-methylpiperazine-1-carbonyl]-6-chloro-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;O-diphenylphosphorylhydroxylamine?

The InChIKey is YWSWZLUXOZNAIS-BEUCPQIGSA-N. The full InChI is InChI=1S/C31H32ClN5O3.C31H31ClN4O3.C12H12NO2P/c1-20-18-35(28(21-10-6-4-7-11-21)22-12-8-5-9-13-22)14-15-36(20)30(39)24-16-23-25(29(38)31(40)34(2)3)19-37(33)27(23)17-26(24)32;1-20-19-35(28(21-10-6-4-7-11-21)22-12-8-5-9-13-22)14-15-36(20)30(38)24-16-23-25(29(37)31(39)34(2)3)18-33-27(23)17-26(24)32;13-15-16(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h4-13,16-17,19-20,28H,14-15,18,33H2,1-3H3;4-13,16-18,20,28,33H,14-15,19H2,1-3H3;1-10H,13H2/t2*20-;/m11./s1.

What are the key properties of 2-[1-amino-5-[(2R)-4-benzhydryl-2-methylpiperazine-1-carbonyl]-6-chloroindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[(2R)-4-benzhydryl-2-methylpiperazine-1-carbonyl]-6-chloro-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;O-diphenylphosphorylhydroxylamine?

2-[1-amino-5-[(2R)-4-benzhydryl-2-methylpiperazine-1-carbonyl]-6-chloroindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[(2R)-4-benzhydryl-2-methylpiperazine-1-carbonyl]-6-chloro-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;O-diphenylphosphorylhydroxylamine has a molecular weight of 1334.36 g/mol, XLogP of 11.05, 15 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-amino-5-[(2R)-4-benzhydryl-2-methylpiperazine-1-carbonyl]-6-chloroindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[(2R)-4-benzhydryl-2-methylpiperazine-1-carbonyl]-6-chloro-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;O-diphenylphosphorylhydroxylamine is sourced from PubChem (CID 162036687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).