[3-acetyl-1-[2-[(2R,4S)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]indol-5-yl]oxymethyl-methylphosphinic acid;[3-acetyl-1-[2-[(2R,4S)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]indol-6-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphinic acid;[[3-acetyl-1-[2-[(2R,4S)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]indol-6-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;cis-(1R,4S)-2-[2-[3-acetyl-6-[[ethoxy(ethyl)phosphoryl]methoxy]indol-1-yl]acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluorocyclopentane-1-carboxamide

C124H138Cl4F8N8O35P4 — CID 158582936

About [3-acetyl-1-[2-[(2R,4S)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]indol-5-yl]oxymethyl-methylphosphinic acid;[3-acetyl-1-[2-[(2R,4S)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]indol-6-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphinic acid;[[3-acetyl-1-[2-[(2R,4S)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]indol-6-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;cis-(1R,4S)-2-[2-[3-acetyl-6-[[ethoxy(ethyl)phosphoryl]methoxy]indol-1-yl]acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluorocyclopentane-1-carboxamide

[3-acetyl-1-[2-[(2R,4S)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]indol-5-yl]oxymethyl-methylphosphinic acid;[3-acetyl-1-[2-[(2R,4S)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]indol-6-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphinic acid;[[3-acetyl-1-[2-[(2R,4S)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]indol-6-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;cis-(1R,4S)-2-[2-[3-acetyl-6-[[ethoxy(ethyl)phosphoryl]methoxy]indol-1-yl]acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluorocyclopentane-1-carboxamide (PubChem CID 158582936) has the molecular formula C124H138Cl4F8N8O35P4 and a molecular weight of 2718.18 g/mol. Its IUPAC name is [3-acetyl-1-[2-[(2R,4S)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]indol-5-yl]oxymethyl-methylphosphinic acid;[3-acetyl-1-[2-[(2R,4S)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]indol-6-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphinic acid;[[3-acetyl-1-[2-[(2R,4S)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]indol-6-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;cis-(1R,4S)-2-[2-[3-acetyl-6-[[ethoxy(ethyl)phosphoryl]methoxy]indol-1-yl]acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluorocyclopentane-1-carboxamide.

Molecular Properties

• Compound Name: [3-acetyl-1-[2-[(2R,4S)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]indol-5-yl]oxymethyl-methylphosphinic acid;[3-acetyl-1-[2-[(2R,4S)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]indol-6-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphinic acid;[[3-acetyl-1-[2-[(2R,4S)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]indol-6-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;cis-(1R,4S)-2-[2-[3-acetyl-6-[[ethoxy(ethyl)phosphoryl]methoxy]indol-1-yl]acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluorocyclopentane-1-carboxamide
• PubChem CID: 158582936
• Molecular Formula: C124H138Cl4F8N8O35P4
• Molecular Weight: 2718.18 g/mol
• Exact Mass: 2714.68
• IUPAC Name: [3-acetyl-1-[2-[(2R,4S)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]indol-5-yl]oxymethyl-methylphosphinic acid;[3-acetyl-1-[2-[(2R,4S)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]indol-6-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphinic acid;[[3-acetyl-1-[2-[(2R,4S)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]indol-6-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;cis-(1R,4S)-2-[2-[3-acetyl-6-[[ethoxy(ethyl)phosphoryl]methoxy]indol-1-yl]acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluorocyclopentane-1-carboxamide
• SMILES: CC(=O)c1cn(CC(=O)C2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(OCP(=O)(O)OCOC(=O)OC(C)C)ccc12.CC(=O)c1cn(CC(=O)C2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(OCP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C)ccc12.CC(=O)c1cn(CC(=O)C2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(OCP(C)(=O)O)cc12.CCOP(=O)(CC)COc1ccc2c(C(C)=O)cn(CC(=O)C3C[C@H](F)C[C@H]3C(=O)NCc3cccc(Cl)c3F)c2c1
• InChI: InChI=1S/C36H42ClF2N2O13P.C31H34ClF2N2O10P.C30H34ClF2N2O6P.C27H28ClF2N2O6P/c1-20(2)53-35(45)48-17-51-55(47,52-18-49-36(46)54-21(3)4)19-50-25-9-10-26-29(22(5)42)15-41(31(26)13-25)16-32(43)27-11-24(38)12-28(27)34(44)40-14-23-7-6-8-30(37)33(23)39;1-17(2)46-31(40)43-15-45-47(41,42)16-44-21-7-8-22-25(18(3)37)13-36(27(22)11-21)14-28(38)23-9-20(33)10-24(23)30(39)35-12-19-5-4-6-26(32)29(19)34;1-4-41-42(39,5-2)17-40-21-9-10-22-25(18(3)36)15-35(27(22)13-21)16-28(37)23-11-20(32)12-24(23)30(38)34-14-19-7-6-8-26(31)29(19)33;1-15(33)22-12-32(24-7-6-18(10-19(22)24)38-14-39(2,36)37)13-25(34)20-8-17(29)9-21(20)27(35)31-11-16-4-3-5-23(28)26(16)30/h6-10,13,15,20-21,24,27-28H,11-12,14,16-19H2,1-5H3,(H,40,44);4-8,11,13,17,20,23-24H,9-10,12,14-16H2,1-3H3,(H,35,39)(H,41,42);6-10,13,15,20,23-24H,4-5,11-12,14,16-17H2,1-3H3,(H,34,38);3-7,10,12,17,20-21H,8-9,11,13-14H2,1-2H3,(H,31,35)(H,36,37)/t24-,27?,28+;20-,23?,24+;20-,23?,24+,42?;17-,20?,21+/m0000/s1
• InChIKey: HTLYWHULLWTJLL-NHUDRTMDSA-N
• XLogP: 25.11
• TPSA: 561.85 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 37
• Rotatable Bonds: 55
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2718.18
LogP ≤ 5	25.11
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-acetyl-1-[2-[(2R,4S)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]indol-5-yl]oxymethyl-methylphosphinic acid;[3-acetyl-1-[2-[(2R,4S)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]indol-6-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphinic acid;[[3-acetyl-1-[2-[(2R,4S)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]indol-6-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;cis-(1R,4S)-2-[2-[3-acetyl-6-[[ethoxy(ethyl)phosphoryl]methoxy]indol-1-yl]acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluorocyclopentane-1-carboxamide?

The IUPAC name of [3-acetyl-1-[2-[(2R,4S)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]indol-5-yl]oxymethyl-methylphosphinic acid;[3-acetyl-1-[2-[(2R,4S)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]indol-6-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphinic acid;[[3-acetyl-1-[2-[(2R,4S)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]indol-6-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;cis-(1R,4S)-2-[2-[3-acetyl-6-[[ethoxy(ethyl)phosphoryl]methoxy]indol-1-yl]acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluorocyclopentane-1-carboxamide (CID 158582936) is [3-acetyl-1-[2-[(2R,4S)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]indol-5-yl]oxymethyl-methylphosphinic acid;[3-acetyl-1-[2-[(2R,4S)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]indol-6-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphinic acid;[[3-acetyl-1-[2-[(2R,4S)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]indol-6-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;cis-(1R,4S)-2-[2-[3-acetyl-6-[[ethoxy(ethyl)phosphoryl]methoxy]indol-1-yl]acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluorocyclopentane-1-carboxamide.

What is the SMILES notation for [3-acetyl-1-[2-[(2R,4S)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]indol-5-yl]oxymethyl-methylphosphinic acid;[3-acetyl-1-[2-[(2R,4S)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]indol-6-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphinic acid;[[3-acetyl-1-[2-[(2R,4S)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]indol-6-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;cis-(1R,4S)-2-[2-[3-acetyl-6-[[ethoxy(ethyl)phosphoryl]methoxy]indol-1-yl]acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluorocyclopentane-1-carboxamide?

The canonical SMILES for [3-acetyl-1-[2-[(2R,4S)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]indol-5-yl]oxymethyl-methylphosphinic acid;[3-acetyl-1-[2-[(2R,4S)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]indol-6-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphinic acid;[[3-acetyl-1-[2-[(2R,4S)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]indol-6-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;cis-(1R,4S)-2-[2-[3-acetyl-6-[[ethoxy(ethyl)phosphoryl]methoxy]indol-1-yl]acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluorocyclopentane-1-carboxamide is CC(=O)c1cn(CC(=O)C2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(OCP(=O)(O)OCOC(=O)OC(C)C)ccc12.CC(=O)c1cn(CC(=O)C2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(OCP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C)ccc12.CC(=O)c1cn(CC(=O)C2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(OCP(C)(=O)O)cc12.CCOP(=O)(CC)COc1ccc2c(C(C)=O)cn(CC(=O)C3C[C@H](F)C[C@H]3C(=O)NCc3cccc(Cl)c3F)c2c1.

What is the InChIKey of [3-acetyl-1-[2-[(2R,4S)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]indol-5-yl]oxymethyl-methylphosphinic acid;[3-acetyl-1-[2-[(2R,4S)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]indol-6-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphinic acid;[[3-acetyl-1-[2-[(2R,4S)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]indol-6-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;cis-(1R,4S)-2-[2-[3-acetyl-6-[[ethoxy(ethyl)phosphoryl]methoxy]indol-1-yl]acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluorocyclopentane-1-carboxamide?

The InChIKey is HTLYWHULLWTJLL-NHUDRTMDSA-N. The full InChI is InChI=1S/C36H42ClF2N2O13P.C31H34ClF2N2O10P.C30H34ClF2N2O6P.C27H28ClF2N2O6P/c1-20(2)53-35(45)48-17-51-55(47,52-18-49-36(46)54-21(3)4)19-50-25-9-10-26-29(22(5)42)15-41(31(26)13-25)16-32(43)27-11-24(38)12-28(27)34(44)40-14-23-7-6-8-30(37)33(23)39;1-17(2)46-31(40)43-15-45-47(41,42)16-44-21-7-8-22-25(18(3)37)13-36(27(22)11-21)14-28(38)23-9-20(33)10-24(23)30(39)35-12-19-5-4-6-26(32)29(19)34;1-4-41-42(39,5-2)17-40-21-9-10-22-25(18(3)36)15-35(27(22)13-21)16-28(37)23-11-20(32)12-24(23)30(38)34-14-19-7-6-8-26(31)29(19)33;1-15(33)22-12-32(24-7-6-18(10-19(22)24)38-14-39(2,36)37)13-25(34)20-8-17(29)9-21(20)27(35)31-11-16-4-3-5-23(28)26(16)30/h6-10,13,15,20-21,24,27-28H,11-12,14,16-19H2,1-5H3,(H,40,44);4-8,11,13,17,20,23-24H,9-10,12,14-16H2,1-3H3,(H,35,39)(H,41,42);6-10,13,15,20,23-24H,4-5,11-12,14,16-17H2,1-3H3,(H,34,38);3-7,10,12,17,20-21H,8-9,11,13-14H2,1-2H3,(H,31,35)(H,36,37)/t24-,27?,28+;20-,23?,24+;20-,23?,24+,42?;17-,20?,21+/m0000/s1.

What are the key properties of [3-acetyl-1-[2-[(2R,4S)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]indol-5-yl]oxymethyl-methylphosphinic acid;[3-acetyl-1-[2-[(2R,4S)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]indol-6-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphinic acid;[[3-acetyl-1-[2-[(2R,4S)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]indol-6-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;cis-(1R,4S)-2-[2-[3-acetyl-6-[[ethoxy(ethyl)phosphoryl]methoxy]indol-1-yl]acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluorocyclopentane-1-carboxamide?

[3-acetyl-1-[2-[(2R,4S)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]indol-5-yl]oxymethyl-methylphosphinic acid;[3-acetyl-1-[2-[(2R,4S)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]indol-6-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphinic acid;[[3-acetyl-1-[2-[(2R,4S)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]indol-6-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;cis-(1R,4S)-2-[2-[3-acetyl-6-[[ethoxy(ethyl)phosphoryl]methoxy]indol-1-yl]acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluorocyclopentane-1-carboxamide has a molecular weight of 2718.18 g/mol, XLogP of 25.11, 55 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for [3-acetyl-1-[2-[(2R,4S)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]indol-5-yl]oxymethyl-methylphosphinic acid;[3-acetyl-1-[2-[(2R,4S)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]indol-6-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphinic acid;[[3-acetyl-1-[2-[(2R,4S)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]indol-6-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;cis-(1R,4S)-2-[2-[3-acetyl-6-[[ethoxy(ethyl)phosphoryl]methoxy]indol-1-yl]acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluorocyclopentane-1-carboxamide is sourced from PubChem (CID 158582936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).