2-chloro-4-[4-[1-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]butylamino]-N-methylbenzamide;2-chloro-N,N-dimethyl-4-[[methyl-[[6-(2-methyl-2-phenylpropanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]amino]methyl]benzamide;2-chloro-N,N-dimethyl-4-[4-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]butyl]benzamide;2-chloro-N,N-dimethyl-4-[3-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]propyl]benzamide;2-chloro-N-methyl-4-[4-[1-[(2S)-3,3,3-trifluoro-2-hydroxy-2-(3-propan-2-yloxyphenyl)propanoyl]piperidin-4-yl]butylamino]benzamide

C137H166Cl7F12N13O15 — CID 158845851

About 2-chloro-4-[4-[1-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]butylamino]-N-methylbenzamide;2-chloro-N,N-dimethyl-4-[[methyl-[[6-(2-methyl-2-phenylpropanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]amino]methyl]benzamide;2-chloro-N,N-dimethyl-4-[4-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]butyl]benzamide;2-chloro-N,N-dimethyl-4-[3-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]propyl]benzamide;2-chloro-N-methyl-4-[4-[1-[(2S)-3,3,3-trifluoro-2-hydroxy-2-(3-propan-2-yloxyphenyl)propanoyl]piperidin-4-yl]butylamino]benzamide

2-chloro-4-[4-[1-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]butylamino]-N-methylbenzamide;2-chloro-N,N-dimethyl-4-[[methyl-[[6-(2-methyl-2-phenylpropanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]amino]methyl]benzamide;2-chloro-N,N-dimethyl-4-[4-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]butyl]benzamide;2-chloro-N,N-dimethyl-4-[3-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]propyl]benzamide;2-chloro-N-methyl-4-[4-[1-[(2S)-3,3,3-trifluoro-2-hydroxy-2-(3-propan-2-yloxyphenyl)propanoyl]piperidin-4-yl]butylamino]benzamide (PubChem CID 158845851) has the molecular formula C137H166Cl7F12N13O15 and a molecular weight of 2711.06 g/mol. Its IUPAC name is 2-chloro-4-[4-[1-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]butylamino]-N-methylbenzamide;2-chloro-N,N-dimethyl-4-[[methyl-[[6-(2-methyl-2-phenylpropanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]amino]methyl]benzamide;2-chloro-N,N-dimethyl-4-[4-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]butyl]benzamide;2-chloro-N,N-dimethyl-4-[3-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]propyl]benzamide;2-chloro-N-methyl-4-[4-[1-[(2S)-3,3,3-trifluoro-2-hydroxy-2-(3-propan-2-yloxyphenyl)propanoyl]piperidin-4-yl]butylamino]benzamide.

Molecular Properties

• Compound Name: 2-chloro-4-[4-[1-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]butylamino]-N-methylbenzamide;2-chloro-N,N-dimethyl-4-[[methyl-[[6-(2-methyl-2-phenylpropanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]amino]methyl]benzamide;2-chloro-N,N-dimethyl-4-[4-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]butyl]benzamide;2-chloro-N,N-dimethyl-4-[3-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]propyl]benzamide;2-chloro-N-methyl-4-[4-[1-[(2S)-3,3,3-trifluoro-2-hydroxy-2-(3-propan-2-yloxyphenyl)propanoyl]piperidin-4-yl]butylamino]benzamide
• PubChem CID: 158845851
• Molecular Formula: C137H166Cl7F12N13O15
• Molecular Weight: 2711.06 g/mol
• Exact Mass: 2706.03
• IUPAC Name: 2-chloro-4-[4-[1-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]butylamino]-N-methylbenzamide;2-chloro-N,N-dimethyl-4-[[methyl-[[6-(2-methyl-2-phenylpropanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]amino]methyl]benzamide;2-chloro-N,N-dimethyl-4-[4-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]butyl]benzamide;2-chloro-N,N-dimethyl-4-[3-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]propyl]benzamide;2-chloro-N-methyl-4-[4-[1-[(2S)-3,3,3-trifluoro-2-hydroxy-2-(3-propan-2-yloxyphenyl)propanoyl]piperidin-4-yl]butylamino]benzamide
• SMILES: CN(C)C(=O)c1ccc(CCCC2CCN(C(=O)[C@](O)(c3ccccc3)C(F)(F)F)CC2)cc1Cl.CN(C)C(=O)c1ccc(CCCCC2CCN(C(=O)[C@](O)(c3ccccc3)C(F)(F)F)CC2)cc1Cl.CN(Cc1ccc(C(=O)N(C)C)c(Cl)c1)CC1CC12CCN(C(=O)C(C)(C)c1ccccc1)CC2.CNC(=O)c1ccc(NCCCCC2CCN(C(=O)[C@@](O)(c3cccc(OC(C)C)c3)C(F)(F)F)CC2)cc1Cl.CNC(=O)c1ccc(NCCCCC2CCN(C(=O)[C@](O)(c3cc(Cl)cc(Cl)c3)C(F)(F)F)CC2)cc1Cl
• InChI: InChI=1S/C29H37ClF3N3O4.C29H38ClN3O2.C27H32ClF3N2O3.C26H29Cl3F3N3O3.C26H30ClF3N2O3/c1-19(2)40-23-9-6-8-21(17-23)28(39,29(31,32)33)27(38)36-15-12-20(13-16-36)7-4-5-14-35-22-10-11-24(25(30)18-22)26(37)34-3;1-28(2,22-9-7-6-8-10-22)27(35)33-15-13-29(14-16-33)18-23(29)20-32(5)19-21-11-12-24(25(30)17-21)26(34)31(3)4;1-32(2)24(34)22-13-12-20(18-23(22)28)9-7-6-8-19-14-16-33(17-15-19)25(35)26(36,27(29,30)31)21-10-4-3-5-11-21;1-33-23(36)21-6-5-20(15-22(21)29)34-9-3-2-4-16-7-10-35(11-8-16)24(37)25(38,26(30,31)32)17-12-18(27)14-19(28)13-17;1-31(2)23(33)21-12-11-19(17-22(21)27)8-6-7-18-13-15-32(16-14-18)24(34)25(35,26(28,29)30)20-9-4-3-5-10-20/h6,8-11,17-20,35,39H,4-5,7,12-16H2,1-3H3,(H,34,37);6-12,17,23H,13-16,18-20H2,1-5H3;3-5,10-13,18-19,36H,6-9,14-17H2,1-2H3;5-6,12-16,34,38H,2-4,7-11H2,1H3,(H,33,36);3-5,9-12,17-18,35H,6-8,13-16H2,1-2H3/t28-;;26-;2*25-/m0.111/s1
• InChIKey: IYUXNKJZAPUOPI-MFDQJCTJSA-N
• XLogP: 27.61
• TPSA: 338.13 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 18
• Rotatable Bonds: 42
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2711.06
LogP ≤ 5	27.61
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[4-[1-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]butylamino]-N-methylbenzamide;2-chloro-N,N-dimethyl-4-[[methyl-[[6-(2-methyl-2-phenylpropanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]amino]methyl]benzamide;2-chloro-N,N-dimethyl-4-[4-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]butyl]benzamide;2-chloro-N,N-dimethyl-4-[3-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]propyl]benzamide;2-chloro-N-methyl-4-[4-[1-[(2S)-3,3,3-trifluoro-2-hydroxy-2-(3-propan-2-yloxyphenyl)propanoyl]piperidin-4-yl]butylamino]benzamide?

The IUPAC name of 2-chloro-4-[4-[1-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]butylamino]-N-methylbenzamide;2-chloro-N,N-dimethyl-4-[[methyl-[[6-(2-methyl-2-phenylpropanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]amino]methyl]benzamide;2-chloro-N,N-dimethyl-4-[4-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]butyl]benzamide;2-chloro-N,N-dimethyl-4-[3-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]propyl]benzamide;2-chloro-N-methyl-4-[4-[1-[(2S)-3,3,3-trifluoro-2-hydroxy-2-(3-propan-2-yloxyphenyl)propanoyl]piperidin-4-yl]butylamino]benzamide (CID 158845851) is 2-chloro-4-[4-[1-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]butylamino]-N-methylbenzamide;2-chloro-N,N-dimethyl-4-[[methyl-[[6-(2-methyl-2-phenylpropanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]amino]methyl]benzamide;2-chloro-N,N-dimethyl-4-[4-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]butyl]benzamide;2-chloro-N,N-dimethyl-4-[3-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]propyl]benzamide;2-chloro-N-methyl-4-[4-[1-[(2S)-3,3,3-trifluoro-2-hydroxy-2-(3-propan-2-yloxyphenyl)propanoyl]piperidin-4-yl]butylamino]benzamide.

What is the SMILES notation for 2-chloro-4-[4-[1-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]butylamino]-N-methylbenzamide;2-chloro-N,N-dimethyl-4-[[methyl-[[6-(2-methyl-2-phenylpropanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]amino]methyl]benzamide;2-chloro-N,N-dimethyl-4-[4-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]butyl]benzamide;2-chloro-N,N-dimethyl-4-[3-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]propyl]benzamide;2-chloro-N-methyl-4-[4-[1-[(2S)-3,3,3-trifluoro-2-hydroxy-2-(3-propan-2-yloxyphenyl)propanoyl]piperidin-4-yl]butylamino]benzamide?

The canonical SMILES for 2-chloro-4-[4-[1-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]butylamino]-N-methylbenzamide;2-chloro-N,N-dimethyl-4-[[methyl-[[6-(2-methyl-2-phenylpropanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]amino]methyl]benzamide;2-chloro-N,N-dimethyl-4-[4-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]butyl]benzamide;2-chloro-N,N-dimethyl-4-[3-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]propyl]benzamide;2-chloro-N-methyl-4-[4-[1-[(2S)-3,3,3-trifluoro-2-hydroxy-2-(3-propan-2-yloxyphenyl)propanoyl]piperidin-4-yl]butylamino]benzamide is CN(C)C(=O)c1ccc(CCCC2CCN(C(=O)[C@](O)(c3ccccc3)C(F)(F)F)CC2)cc1Cl.CN(C)C(=O)c1ccc(CCCCC2CCN(C(=O)[C@](O)(c3ccccc3)C(F)(F)F)CC2)cc1Cl.CN(Cc1ccc(C(=O)N(C)C)c(Cl)c1)CC1CC12CCN(C(=O)C(C)(C)c1ccccc1)CC2.CNC(=O)c1ccc(NCCCCC2CCN(C(=O)[C@@](O)(c3cccc(OC(C)C)c3)C(F)(F)F)CC2)cc1Cl.CNC(=O)c1ccc(NCCCCC2CCN(C(=O)[C@](O)(c3cc(Cl)cc(Cl)c3)C(F)(F)F)CC2)cc1Cl.

What is the InChIKey of 2-chloro-4-[4-[1-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]butylamino]-N-methylbenzamide;2-chloro-N,N-dimethyl-4-[[methyl-[[6-(2-methyl-2-phenylpropanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]amino]methyl]benzamide;2-chloro-N,N-dimethyl-4-[4-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]butyl]benzamide;2-chloro-N,N-dimethyl-4-[3-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]propyl]benzamide;2-chloro-N-methyl-4-[4-[1-[(2S)-3,3,3-trifluoro-2-hydroxy-2-(3-propan-2-yloxyphenyl)propanoyl]piperidin-4-yl]butylamino]benzamide?

The InChIKey is IYUXNKJZAPUOPI-MFDQJCTJSA-N. The full InChI is InChI=1S/C29H37ClF3N3O4.C29H38ClN3O2.C27H32ClF3N2O3.C26H29Cl3F3N3O3.C26H30ClF3N2O3/c1-19(2)40-23-9-6-8-21(17-23)28(39,29(31,32)33)27(38)36-15-12-20(13-16-36)7-4-5-14-35-22-10-11-24(25(30)18-22)26(37)34-3;1-28(2,22-9-7-6-8-10-22)27(35)33-15-13-29(14-16-33)18-23(29)20-32(5)19-21-11-12-24(25(30)17-21)26(34)31(3)4;1-32(2)24(34)22-13-12-20(18-23(22)28)9-7-6-8-19-14-16-33(17-15-19)25(35)26(36,27(29,30)31)21-10-4-3-5-11-21;1-33-23(36)21-6-5-20(15-22(21)29)34-9-3-2-4-16-7-10-35(11-8-16)24(37)25(38,26(30,31)32)17-12-18(27)14-19(28)13-17;1-31(2)23(33)21-12-11-19(17-22(21)27)8-6-7-18-13-15-32(16-14-18)24(34)25(35,26(28,29)30)20-9-4-3-5-10-20/h6,8-11,17-20,35,39H,4-5,7,12-16H2,1-3H3,(H,34,37);6-12,17,23H,13-16,18-20H2,1-5H3;3-5,10-13,18-19,36H,6-9,14-17H2,1-2H3;5-6,12-16,34,38H,2-4,7-11H2,1H3,(H,33,36);3-5,9-12,17-18,35H,6-8,13-16H2,1-2H3/t28-;;26-;2*25-/m0.111/s1.

What are the key properties of 2-chloro-4-[4-[1-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]butylamino]-N-methylbenzamide;2-chloro-N,N-dimethyl-4-[[methyl-[[6-(2-methyl-2-phenylpropanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]amino]methyl]benzamide;2-chloro-N,N-dimethyl-4-[4-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]butyl]benzamide;2-chloro-N,N-dimethyl-4-[3-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]propyl]benzamide;2-chloro-N-methyl-4-[4-[1-[(2S)-3,3,3-trifluoro-2-hydroxy-2-(3-propan-2-yloxyphenyl)propanoyl]piperidin-4-yl]butylamino]benzamide?

2-chloro-4-[4-[1-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]butylamino]-N-methylbenzamide;2-chloro-N,N-dimethyl-4-[[methyl-[[6-(2-methyl-2-phenylpropanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]amino]methyl]benzamide;2-chloro-N,N-dimethyl-4-[4-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]butyl]benzamide;2-chloro-N,N-dimethyl-4-[3-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]propyl]benzamide;2-chloro-N-methyl-4-[4-[1-[(2S)-3,3,3-trifluoro-2-hydroxy-2-(3-propan-2-yloxyphenyl)propanoyl]piperidin-4-yl]butylamino]benzamide has a molecular weight of 2711.06 g/mol, XLogP of 27.61, 42 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-[4-[1-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]butylamino]-N-methylbenzamide;2-chloro-N,N-dimethyl-4-[[methyl-[[6-(2-methyl-2-phenylpropanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]amino]methyl]benzamide;2-chloro-N,N-dimethyl-4-[4-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]butyl]benzamide;2-chloro-N,N-dimethyl-4-[3-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]propyl]benzamide;2-chloro-N-methyl-4-[4-[1-[(2S)-3,3,3-trifluoro-2-hydroxy-2-(3-propan-2-yloxyphenyl)propanoyl]piperidin-4-yl]butylamino]benzamide is sourced from PubChem (CID 158845851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).