3-(3-anilino-3-oxopropyl)-5-chloro-N-phenyl-1H-indole-2-carboxamide;5-chloro-3-[3-(4-chloroanilino)-3-oxopropyl]-N-(4-chlorophenyl)-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

C109H99Cl7F6N10O20 — CID 165108344

About 3-(3-anilino-3-oxopropyl)-5-chloro-N-phenyl-1H-indole-2-carboxamide;5-chloro-3-[3-(4-chloroanilino)-3-oxopropyl]-N-(4-chlorophenyl)-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-anilino-3-oxopropyl)-5-chloro-N-phenyl-1H-indole-2-carboxamide;5-chloro-3-[3-(4-chloroanilino)-3-oxopropyl]-N-(4-chlorophenyl)-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 165108344) has the molecular formula C109H99Cl7F6N10O20 and a molecular weight of 2231.20 g/mol. Its IUPAC name is 3-(3-anilino-3-oxopropyl)-5-chloro-N-phenyl-1H-indole-2-carboxamide;5-chloro-3-[3-(4-chloroanilino)-3-oxopropyl]-N-(4-chlorophenyl)-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-anilino-3-oxopropyl)-5-chloro-N-phenyl-1H-indole-2-carboxamide;5-chloro-3-[3-(4-chloroanilino)-3-oxopropyl]-N-(4-chlorophenyl)-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: 165108344
• Molecular Formula: C109H99Cl7F6N10O20
• Molecular Weight: 2231.20 g/mol
• Exact Mass: 2226.48
• IUPAC Name: 3-(3-anilino-3-oxopropyl)-5-chloro-N-phenyl-1H-indole-2-carboxamide;5-chloro-3-[3-(4-chloroanilino)-3-oxopropyl]-N-(4-chlorophenyl)-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.O=C(CCc1c(C(=O)Nc2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12)Nc1ccc(Cl)cc1.O=C(CCc1c(C(=O)Nc2ccccc2)[nH]c2ccc(Cl)cc12)Nc1ccccc1
• InChI: InChI=1S/C24H18Cl3N3O2.C24H20ClN3O2.C16H16F3NO4.C15H13ClF3NO4.2C15H16ClNO4/c25-14-1-6-17(7-2-14)28-22(31)12-10-19-20-13-16(27)5-11-21(20)30-23(19)24(32)29-18-8-3-15(26)4-9-18;25-16-11-13-21-20(15-16)19(12-14-22(29)26-17-7-3-1-4-8-17)23(28-21)24(30)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/h1-9,11,13,30H,10,12H2,(H,28,31)(H,29,32);1-11,13,15,28H,12,14H2,(H,26,29)(H,27,30);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: ZNIIJJFCEINDGP-UHFFFAOYSA-N
• XLogP: 26.97
• TPSA: 465.54 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 16
• Rotatable Bonds: 32
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2231.20
LogP ≤ 5	26.97
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(3-anilino-3-oxopropyl)-5-chloro-N-phenyl-1H-indole-2-carboxamide;5-chloro-3-[3-(4-chloroanilino)-3-oxopropyl]-N-(4-chlorophenyl)-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-anilino-3-oxopropyl)-5-chloro-N-phenyl-1H-indole-2-carboxamide;5-chloro-3-[3-(4-chloroanilino)-3-oxopropyl]-N-(4-chlorophenyl)-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 165108344) is 3-(3-anilino-3-oxopropyl)-5-chloro-N-phenyl-1H-indole-2-carboxamide;5-chloro-3-[3-(4-chloroanilino)-3-oxopropyl]-N-(4-chlorophenyl)-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-anilino-3-oxopropyl)-5-chloro-N-phenyl-1H-indole-2-carboxamide;5-chloro-3-[3-(4-chloroanilino)-3-oxopropyl]-N-(4-chlorophenyl)-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-anilino-3-oxopropyl)-5-chloro-N-phenyl-1H-indole-2-carboxamide;5-chloro-3-[3-(4-chloroanilino)-3-oxopropyl]-N-(4-chlorophenyl)-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.O=C(CCc1c(C(=O)Nc2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12)Nc1ccc(Cl)cc1.O=C(CCc1c(C(=O)Nc2ccccc2)[nH]c2ccc(Cl)cc12)Nc1ccccc1.

What is the InChIKey of 3-(3-anilino-3-oxopropyl)-5-chloro-N-phenyl-1H-indole-2-carboxamide;5-chloro-3-[3-(4-chloroanilino)-3-oxopropyl]-N-(4-chlorophenyl)-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 ZNIIJJFCEINDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl3N3O2.C24H20ClN3O2.C16H16F3NO4.C15H13ClF3NO4.2C15H16ClNO4/c25-14-1-6-17(7-2-14)28-22(31)12-10-19-20-13-16(27)5-11-21(20)30-23(19)24(32)29-18-8-3-15(26)4-9-18;25-16-11-13-21-20(15-16)19(12-14-22(29)26-17-7-3-1-4-8-17)23(28-21)24(30)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/h1-9,11,13,30H,10,12H2,(H,28,31)(H,29,32);1-11,13,15,28H,12,14H2,(H,26,29)(H,27,30);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-anilino-3-oxopropyl)-5-chloro-N-phenyl-1H-indole-2-carboxamide;5-chloro-3-[3-(4-chloroanilino)-3-oxopropyl]-N-(4-chlorophenyl)-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-anilino-3-oxopropyl)-5-chloro-N-phenyl-1H-indole-2-carboxamide;5-chloro-3-[3-(4-chloroanilino)-3-oxopropyl]-N-(4-chlorophenyl)-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 2231.20 g/mol, XLogP of 26.97, 32 rotatable bonds, 14 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-anilino-3-oxopropyl)-5-chloro-N-phenyl-1H-indole-2-carboxamide;5-chloro-3-[3-(4-chloroanilino)-3-oxopropyl]-N-(4-chlorophenyl)-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 165108344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).