N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-[2-(4-fluorophenoxy)ethyl]-1,4-diazepan-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(3-phenoxypropyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide

C174H209Cl6FN18O15 — CID 157493977

About N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-[2-(4-fluorophenoxy)ethyl]-1,4-diazepan-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(3-phenoxypropyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide

N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-[2-(4-fluorophenoxy)ethyl]-1,4-diazepan-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(3-phenoxypropyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide (PubChem CID 157493977) has the molecular formula C174H209Cl6FN18O15 and a molecular weight of 3024.41 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-[2-(4-fluorophenoxy)ethyl]-1,4-diazepan-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(3-phenoxypropyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-[2-(4-fluorophenoxy)ethyl]-1,4-diazepan-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(3-phenoxypropyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide
• PubChem CID: 157493977
• Molecular Formula: C174H209Cl6FN18O15
• Molecular Weight: 3024.41 g/mol
• Exact Mass: 3019.43
• IUPAC Name: N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-[2-(4-fluorophenoxy)ethyl]-1,4-diazepan-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(3-phenoxypropyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide
• SMILES: CC(C)Oc1cccc2c(C(=O)NCc3ccc(Cl)c(Cl)c3)cn(CCCN3CCC(CCOc4ccccc4)CC3)c12.CC(C)Oc1cccc2c(C(=O)NCc3ccc(Cl)c(Cl)c3)cn(CCCN3CCCN(CCOc4ccc(F)cc4)CC3)c12.CC(C)Oc1cccc2c(C(=O)NCc3ccc(Cl)c(Cl)c3)cn(CCCN3CCCN(CCOc4ccccc4)CC3)c12.COc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3CCC(CCOc4ccccc4)CC3)c12.COc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3CCCN(CCCOc4ccccc4)CC3)c12
• InChI: InChI=1S/C35H41Cl2FN4O3.C35H42Cl2N4O3.C35H41Cl2N3O3.C35H44N4O3.C34H41N3O3/c1-25(2)45-33-7-3-6-29-30(35(43)39-23-26-8-13-31(36)32(37)22-26)24-42(34(29)33)17-5-16-40-14-4-15-41(19-18-40)20-21-44-28-11-9-27(38)10-12-28;1-26(2)44-33-12-6-11-29-30(35(42)38-24-27-13-14-31(36)32(37)23-27)25-41(34(29)33)18-8-17-39-15-7-16-40(20-19-39)21-22-43-28-9-4-3-5-10-28;1-25(2)43-33-11-6-10-29-30(35(41)38-23-27-12-13-31(36)32(37)22-27)24-40(34(29)33)18-7-17-39-19-14-26(15-20-39)16-21-42-28-8-4-3-5-9-28;1-28-11-6-12-29(25-28)26-36-35(40)32-27-39(34-31(32)15-7-16-33(34)41-2)21-9-19-37-17-8-18-38(23-22-37)20-10-24-42-30-13-4-3-5-14-30;1-26-9-6-10-28(23-26)24-35-34(38)31-25-37(33-30(31)13-7-14-32(33)39-2)19-8-18-36-20-15-27(16-21-36)17-22-40-29-11-4-3-5-12-29/h3,6-13,22,24-25H,4-5,14-21,23H2,1-2H3,(H,39,43);3-6,9-14,23,25-26H,7-8,15-22,24H2,1-2H3,(H,38,42);3-6,8-13,22,24-26H,7,14-21,23H2,1-2H3,(H,38,41);3-7,11-16,25,27H,8-10,17-24,26H2,1-2H3,(H,36,40);3-7,9-14,23,25,27H,8,15-22,24H2,1-2H3,(H,35,38)
• InChIKey: BXPJKKHAJZIHRO-UHFFFAOYSA-N
• XLogP: 34.87
• TPSA: 288.37 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 64
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3024.41
LogP ≤ 5	34.87
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-[2-(4-fluorophenoxy)ethyl]-1,4-diazepan-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(3-phenoxypropyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide?

The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-[2-(4-fluorophenoxy)ethyl]-1,4-diazepan-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(3-phenoxypropyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide (CID 157493977) is N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-[2-(4-fluorophenoxy)ethyl]-1,4-diazepan-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(3-phenoxypropyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide.

What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-[2-(4-fluorophenoxy)ethyl]-1,4-diazepan-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(3-phenoxypropyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide?

The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-[2-(4-fluorophenoxy)ethyl]-1,4-diazepan-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(3-phenoxypropyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide is CC(C)Oc1cccc2c(C(=O)NCc3ccc(Cl)c(Cl)c3)cn(CCCN3CCC(CCOc4ccccc4)CC3)c12.CC(C)Oc1cccc2c(C(=O)NCc3ccc(Cl)c(Cl)c3)cn(CCCN3CCCN(CCOc4ccc(F)cc4)CC3)c12.CC(C)Oc1cccc2c(C(=O)NCc3ccc(Cl)c(Cl)c3)cn(CCCN3CCCN(CCOc4ccccc4)CC3)c12.COc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3CCC(CCOc4ccccc4)CC3)c12.COc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3CCCN(CCCOc4ccccc4)CC3)c12.

What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-[2-(4-fluorophenoxy)ethyl]-1,4-diazepan-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(3-phenoxypropyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide?

The InChIKey is BXPJKKHAJZIHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41Cl2FN4O3.C35H42Cl2N4O3.C35H41Cl2N3O3.C35H44N4O3.C34H41N3O3/c1-25(2)45-33-7-3-6-29-30(35(43)39-23-26-8-13-31(36)32(37)22-26)24-42(34(29)33)17-5-16-40-14-4-15-41(19-18-40)20-21-44-28-11-9-27(38)10-12-28;1-26(2)44-33-12-6-11-29-30(35(42)38-24-27-13-14-31(36)32(37)23-27)25-41(34(29)33)18-8-17-39-15-7-16-40(20-19-39)21-22-43-28-9-4-3-5-10-28;1-25(2)43-33-11-6-10-29-30(35(41)38-23-27-12-13-31(36)32(37)22-27)24-40(34(29)33)18-7-17-39-19-14-26(15-20-39)16-21-42-28-8-4-3-5-9-28;1-28-11-6-12-29(25-28)26-36-35(40)32-27-39(34-31(32)15-7-16-33(34)41-2)21-9-19-37-17-8-18-38(23-22-37)20-10-24-42-30-13-4-3-5-14-30;1-26-9-6-10-28(23-26)24-35-34(38)31-25-37(33-30(31)13-7-14-32(33)39-2)19-8-18-36-20-15-27(16-21-36)17-22-40-29-11-4-3-5-12-29/h3,6-13,22,24-25H,4-5,14-21,23H2,1-2H3,(H,39,43);3-6,9-14,23,25-26H,7-8,15-22,24H2,1-2H3,(H,38,42);3-6,8-13,22,24-26H,7,14-21,23H2,1-2H3,(H,38,41);3-7,11-16,25,27H,8-10,17-24,26H2,1-2H3,(H,36,40);3-7,9-14,23,25,27H,8,15-22,24H2,1-2H3,(H,35,38).

What are the key properties of N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-[2-(4-fluorophenoxy)ethyl]-1,4-diazepan-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(3-phenoxypropyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide?

N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-[2-(4-fluorophenoxy)ethyl]-1,4-diazepan-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(3-phenoxypropyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide has a molecular weight of 3024.41 g/mol, XLogP of 34.87, 64 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-[2-(4-fluorophenoxy)ethyl]-1,4-diazepan-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(3-phenoxypropyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide is sourced from PubChem (CID 157493977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).