3-[3-aminooxy-3-(4-chlorophenyl)propyl]-5-chloro-N-(4-chlorophenyl)-1H-indole-2-carboxamide;3-(3-aminooxy-3-phenylpropyl)-5-chloro-N-phenyl-1H-indole-2-carboxamide;5-chloro-3-(3-ethoxy-3-oxopropyl)-6-methyl-1H-indole-2-carboxylic acid;7-chloro-3-(3-ethoxy-3-oxopropyl)-5-methyl-1H-indole-2-carboxylic acid;5-chloro-3-(3-ethoxy-3-oxopropyl)-4-(trifluoromethyl)-1H-indole-2-carboxylic acid;3-(3-ethoxy-3-oxopropyl)-6-methyl-4-(trifluoromethyl)-1H-indole-2-carboxylic acid

C109H103Cl7F6N10O20 — CID 159434130

About 3-[3-aminooxy-3-(4-chlorophenyl)propyl]-5-chloro-N-(4-chlorophenyl)-1H-indole-2-carboxamide;3-(3-aminooxy-3-phenylpropyl)-5-chloro-N-phenyl-1H-indole-2-carboxamide;5-chloro-3-(3-ethoxy-3-oxopropyl)-6-methyl-1H-indole-2-carboxylic acid;7-chloro-3-(3-ethoxy-3-oxopropyl)-5-methyl-1H-indole-2-carboxylic acid;5-chloro-3-(3-ethoxy-3-oxopropyl)-4-(trifluoromethyl)-1H-indole-2-carboxylic acid;3-(3-ethoxy-3-oxopropyl)-6-methyl-4-(trifluoromethyl)-1H-indole-2-carboxylic acid

3-[3-aminooxy-3-(4-chlorophenyl)propyl]-5-chloro-N-(4-chlorophenyl)-1H-indole-2-carboxamide;3-(3-aminooxy-3-phenylpropyl)-5-chloro-N-phenyl-1H-indole-2-carboxamide;5-chloro-3-(3-ethoxy-3-oxopropyl)-6-methyl-1H-indole-2-carboxylic acid;7-chloro-3-(3-ethoxy-3-oxopropyl)-5-methyl-1H-indole-2-carboxylic acid;5-chloro-3-(3-ethoxy-3-oxopropyl)-4-(trifluoromethyl)-1H-indole-2-carboxylic acid;3-(3-ethoxy-3-oxopropyl)-6-methyl-4-(trifluoromethyl)-1H-indole-2-carboxylic acid (PubChem CID 159434130) has the molecular formula C109H103Cl7F6N10O20 and a molecular weight of 2235.23 g/mol. Its IUPAC name is 3-[3-aminooxy-3-(4-chlorophenyl)propyl]-5-chloro-N-(4-chlorophenyl)-1H-indole-2-carboxamide;3-(3-aminooxy-3-phenylpropyl)-5-chloro-N-phenyl-1H-indole-2-carboxamide;5-chloro-3-(3-ethoxy-3-oxopropyl)-6-methyl-1H-indole-2-carboxylic acid;7-chloro-3-(3-ethoxy-3-oxopropyl)-5-methyl-1H-indole-2-carboxylic acid;5-chloro-3-(3-ethoxy-3-oxopropyl)-4-(trifluoromethyl)-1H-indole-2-carboxylic acid;3-(3-ethoxy-3-oxopropyl)-6-methyl-4-(trifluoromethyl)-1H-indole-2-carboxylic acid.

Molecular Properties

• Compound Name: 3-[3-aminooxy-3-(4-chlorophenyl)propyl]-5-chloro-N-(4-chlorophenyl)-1H-indole-2-carboxamide;3-(3-aminooxy-3-phenylpropyl)-5-chloro-N-phenyl-1H-indole-2-carboxamide;5-chloro-3-(3-ethoxy-3-oxopropyl)-6-methyl-1H-indole-2-carboxylic acid;7-chloro-3-(3-ethoxy-3-oxopropyl)-5-methyl-1H-indole-2-carboxylic acid;5-chloro-3-(3-ethoxy-3-oxopropyl)-4-(trifluoromethyl)-1H-indole-2-carboxylic acid;3-(3-ethoxy-3-oxopropyl)-6-methyl-4-(trifluoromethyl)-1H-indole-2-carboxylic acid
• PubChem CID: 159434130
• Molecular Formula: C109H103Cl7F6N10O20
• Molecular Weight: 2235.23 g/mol
• Exact Mass: 2230.51
• IUPAC Name: 3-[3-aminooxy-3-(4-chlorophenyl)propyl]-5-chloro-N-(4-chlorophenyl)-1H-indole-2-carboxamide;3-(3-aminooxy-3-phenylpropyl)-5-chloro-N-phenyl-1H-indole-2-carboxamide;5-chloro-3-(3-ethoxy-3-oxopropyl)-6-methyl-1H-indole-2-carboxylic acid;7-chloro-3-(3-ethoxy-3-oxopropyl)-5-methyl-1H-indole-2-carboxylic acid;5-chloro-3-(3-ethoxy-3-oxopropyl)-4-(trifluoromethyl)-1H-indole-2-carboxylic acid;3-(3-ethoxy-3-oxopropyl)-6-methyl-4-(trifluoromethyl)-1H-indole-2-carboxylic acid
• SMILES: CCOC(=O)CCc1c(C(=O)O)[nH]c2c(Cl)cc(C)cc12.CCOC(=O)CCc1c(C(=O)O)[nH]c2cc(C)c(Cl)cc12.CCOC(=O)CCc1c(C(=O)O)[nH]c2cc(C)cc(C(F)(F)F)c12.CCOC(=O)CCc1c(C(=O)O)[nH]c2ccc(Cl)c(C(F)(F)F)c12.NOC(CCc1c(C(=O)Nc2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12)c1ccc(Cl)cc1.NOC(CCc1c(C(=O)Nc2ccccc2)[nH]c2ccc(Cl)cc12)c1ccccc1
• InChI: InChI=1S/C24H20Cl3N3O2.C24H22ClN3O2.C16H16F3NO4.C15H13ClF3NO4.2C15H16ClNO4/c25-15-3-1-14(2-4-15)22(32-28)12-10-19-20-13-17(27)7-11-21(20)30-23(19)24(31)29-18-8-5-16(26)6-9-18;25-17-11-13-21-20(15-17)19(12-14-22(30-26)16-7-3-1-4-8-16)23(28-21)24(29)27-18-9-5-2-6-10-18;1-3-24-12(21)5-4-9-13-10(16(17,18)19)6-8(2)7-11(13)20-14(9)15(22)23;1-2-24-10(21)6-3-7-11-9(20-13(7)14(22)23)5-4-8(16)12(11)15(17,18)19;1-3-21-13(18)5-4-9-10-7-11(16)8(2)6-12(10)17-14(9)15(19)20;1-3-21-12(18)5-4-9-10-6-8(2)7-11(16)13(10)17-14(9)15(19)20/h1-9,11,13,22,30H,10,12,28H2,(H,29,31);1-11,13,15,22,28H,12,14,26H2,(H,27,29);6-7,20H,3-5H2,1-2H3,(H,22,23);4-5,20H,2-3,6H2,1H3,(H,22,23);2*6-7,17H,3-5H2,1-2H3,(H,19,20)
• InChIKey: LRIXBOMXUJGQHY-UHFFFAOYSA-N
• XLogP: 26.95
• TPSA: 477.84 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 18
• Rotatable Bonds: 34
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2235.23
LogP ≤ 5	26.95
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[3-aminooxy-3-(4-chlorophenyl)propyl]-5-chloro-N-(4-chlorophenyl)-1H-indole-2-carboxamide;3-(3-aminooxy-3-phenylpropyl)-5-chloro-N-phenyl-1H-indole-2-carboxamide;5-chloro-3-(3-ethoxy-3-oxopropyl)-6-methyl-1H-indole-2-carboxylic acid;7-chloro-3-(3-ethoxy-3-oxopropyl)-5-methyl-1H-indole-2-carboxylic acid;5-chloro-3-(3-ethoxy-3-oxopropyl)-4-(trifluoromethyl)-1H-indole-2-carboxylic acid;3-(3-ethoxy-3-oxopropyl)-6-methyl-4-(trifluoromethyl)-1H-indole-2-carboxylic acid?

The IUPAC name of 3-[3-aminooxy-3-(4-chlorophenyl)propyl]-5-chloro-N-(4-chlorophenyl)-1H-indole-2-carboxamide;3-(3-aminooxy-3-phenylpropyl)-5-chloro-N-phenyl-1H-indole-2-carboxamide;5-chloro-3-(3-ethoxy-3-oxopropyl)-6-methyl-1H-indole-2-carboxylic acid;7-chloro-3-(3-ethoxy-3-oxopropyl)-5-methyl-1H-indole-2-carboxylic acid;5-chloro-3-(3-ethoxy-3-oxopropyl)-4-(trifluoromethyl)-1H-indole-2-carboxylic acid;3-(3-ethoxy-3-oxopropyl)-6-methyl-4-(trifluoromethyl)-1H-indole-2-carboxylic acid (CID 159434130) is 3-[3-aminooxy-3-(4-chlorophenyl)propyl]-5-chloro-N-(4-chlorophenyl)-1H-indole-2-carboxamide;3-(3-aminooxy-3-phenylpropyl)-5-chloro-N-phenyl-1H-indole-2-carboxamide;5-chloro-3-(3-ethoxy-3-oxopropyl)-6-methyl-1H-indole-2-carboxylic acid;7-chloro-3-(3-ethoxy-3-oxopropyl)-5-methyl-1H-indole-2-carboxylic acid;5-chloro-3-(3-ethoxy-3-oxopropyl)-4-(trifluoromethyl)-1H-indole-2-carboxylic acid;3-(3-ethoxy-3-oxopropyl)-6-methyl-4-(trifluoromethyl)-1H-indole-2-carboxylic acid.

What is the SMILES notation for 3-[3-aminooxy-3-(4-chlorophenyl)propyl]-5-chloro-N-(4-chlorophenyl)-1H-indole-2-carboxamide;3-(3-aminooxy-3-phenylpropyl)-5-chloro-N-phenyl-1H-indole-2-carboxamide;5-chloro-3-(3-ethoxy-3-oxopropyl)-6-methyl-1H-indole-2-carboxylic acid;7-chloro-3-(3-ethoxy-3-oxopropyl)-5-methyl-1H-indole-2-carboxylic acid;5-chloro-3-(3-ethoxy-3-oxopropyl)-4-(trifluoromethyl)-1H-indole-2-carboxylic acid;3-(3-ethoxy-3-oxopropyl)-6-methyl-4-(trifluoromethyl)-1H-indole-2-carboxylic acid?

The canonical SMILES for 3-[3-aminooxy-3-(4-chlorophenyl)propyl]-5-chloro-N-(4-chlorophenyl)-1H-indole-2-carboxamide;3-(3-aminooxy-3-phenylpropyl)-5-chloro-N-phenyl-1H-indole-2-carboxamide;5-chloro-3-(3-ethoxy-3-oxopropyl)-6-methyl-1H-indole-2-carboxylic acid;7-chloro-3-(3-ethoxy-3-oxopropyl)-5-methyl-1H-indole-2-carboxylic acid;5-chloro-3-(3-ethoxy-3-oxopropyl)-4-(trifluoromethyl)-1H-indole-2-carboxylic acid;3-(3-ethoxy-3-oxopropyl)-6-methyl-4-(trifluoromethyl)-1H-indole-2-carboxylic acid is CCOC(=O)CCc1c(C(=O)O)[nH]c2c(Cl)cc(C)cc12.CCOC(=O)CCc1c(C(=O)O)[nH]c2cc(C)c(Cl)cc12.CCOC(=O)CCc1c(C(=O)O)[nH]c2cc(C)cc(C(F)(F)F)c12.CCOC(=O)CCc1c(C(=O)O)[nH]c2ccc(Cl)c(C(F)(F)F)c12.NOC(CCc1c(C(=O)Nc2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12)c1ccc(Cl)cc1.NOC(CCc1c(C(=O)Nc2ccccc2)[nH]c2ccc(Cl)cc12)c1ccccc1.

What is the InChIKey of 3-[3-aminooxy-3-(4-chlorophenyl)propyl]-5-chloro-N-(4-chlorophenyl)-1H-indole-2-carboxamide;3-(3-aminooxy-3-phenylpropyl)-5-chloro-N-phenyl-1H-indole-2-carboxamide;5-chloro-3-(3-ethoxy-3-oxopropyl)-6-methyl-1H-indole-2-carboxylic acid;7-chloro-3-(3-ethoxy-3-oxopropyl)-5-methyl-1H-indole-2-carboxylic acid;5-chloro-3-(3-ethoxy-3-oxopropyl)-4-(trifluoromethyl)-1H-indole-2-carboxylic acid;3-(3-ethoxy-3-oxopropyl)-6-methyl-4-(trifluoromethyl)-1H-indole-2-carboxylic acid?

The InChIKey is LRIXBOMXUJGQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl3N3O2.C24H22ClN3O2.C16H16F3NO4.C15H13ClF3NO4.2C15H16ClNO4/c25-15-3-1-14(2-4-15)22(32-28)12-10-19-20-13-17(27)7-11-21(20)30-23(19)24(31)29-18-8-5-16(26)6-9-18;25-17-11-13-21-20(15-17)19(12-14-22(30-26)16-7-3-1-4-8-16)23(28-21)24(29)27-18-9-5-2-6-10-18;1-3-24-12(21)5-4-9-13-10(16(17,18)19)6-8(2)7-11(13)20-14(9)15(22)23;1-2-24-10(21)6-3-7-11-9(20-13(7)14(22)23)5-4-8(16)12(11)15(17,18)19;1-3-21-13(18)5-4-9-10-7-11(16)8(2)6-12(10)17-14(9)15(19)20;1-3-21-12(18)5-4-9-10-6-8(2)7-11(16)13(10)17-14(9)15(19)20/h1-9,11,13,22,30H,10,12,28H2,(H,29,31);1-11,13,15,22,28H,12,14,26H2,(H,27,29);6-7,20H,3-5H2,1-2H3,(H,22,23);4-5,20H,2-3,6H2,1H3,(H,22,23);2*6-7,17H,3-5H2,1-2H3,(H,19,20).

What are the key properties of 3-[3-aminooxy-3-(4-chlorophenyl)propyl]-5-chloro-N-(4-chlorophenyl)-1H-indole-2-carboxamide;3-(3-aminooxy-3-phenylpropyl)-5-chloro-N-phenyl-1H-indole-2-carboxamide;5-chloro-3-(3-ethoxy-3-oxopropyl)-6-methyl-1H-indole-2-carboxylic acid;7-chloro-3-(3-ethoxy-3-oxopropyl)-5-methyl-1H-indole-2-carboxylic acid;5-chloro-3-(3-ethoxy-3-oxopropyl)-4-(trifluoromethyl)-1H-indole-2-carboxylic acid;3-(3-ethoxy-3-oxopropyl)-6-methyl-4-(trifluoromethyl)-1H-indole-2-carboxylic acid?

3-[3-aminooxy-3-(4-chlorophenyl)propyl]-5-chloro-N-(4-chlorophenyl)-1H-indole-2-carboxamide;3-(3-aminooxy-3-phenylpropyl)-5-chloro-N-phenyl-1H-indole-2-carboxamide;5-chloro-3-(3-ethoxy-3-oxopropyl)-6-methyl-1H-indole-2-carboxylic acid;7-chloro-3-(3-ethoxy-3-oxopropyl)-5-methyl-1H-indole-2-carboxylic acid;5-chloro-3-(3-ethoxy-3-oxopropyl)-4-(trifluoromethyl)-1H-indole-2-carboxylic acid;3-(3-ethoxy-3-oxopropyl)-6-methyl-4-(trifluoromethyl)-1H-indole-2-carboxylic acid has a molecular weight of 2235.23 g/mol, XLogP of 26.95, 34 rotatable bonds, 14 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-aminooxy-3-(4-chlorophenyl)propyl]-5-chloro-N-(4-chlorophenyl)-1H-indole-2-carboxamide;3-(3-aminooxy-3-phenylpropyl)-5-chloro-N-phenyl-1H-indole-2-carboxamide;5-chloro-3-(3-ethoxy-3-oxopropyl)-6-methyl-1H-indole-2-carboxylic acid;7-chloro-3-(3-ethoxy-3-oxopropyl)-5-methyl-1H-indole-2-carboxylic acid;5-chloro-3-(3-ethoxy-3-oxopropyl)-4-(trifluoromethyl)-1H-indole-2-carboxylic acid;3-(3-ethoxy-3-oxopropyl)-6-methyl-4-(trifluoromethyl)-1H-indole-2-carboxylic acid is sourced from PubChem (CID 159434130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).