4-[(1R,2S)-1-(4-chlorophenyl)-1-(7-fluoro-5-methyl-1H-indol-3-yl)pentan-2-yl]-N-(3-oxobutyl)benzamide;4-[1-(4-chlorophenyl)-1-(7-fluoro-5-methyl-1H-indol-3-yl)pentan-2-yl]-N-(3-oxobutyl)benzamide;1-[4-[(1S)-1-[3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione;1-[4-[1-[3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione

C130H124Cl6F2N8O10 — CID 158930842

About 4-[(1R,2S)-1-(4-chlorophenyl)-1-(7-fluoro-5-methyl-1H-indol-3-yl)pentan-2-yl]-N-(3-oxobutyl)benzamide;4-[1-(4-chlorophenyl)-1-(7-fluoro-5-methyl-1H-indol-3-yl)pentan-2-yl]-N-(3-oxobutyl)benzamide;1-[4-[(1S)-1-[3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione;1-[4-[1-[3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione

4-[(1R,2S)-1-(4-chlorophenyl)-1-(7-fluoro-5-methyl-1H-indol-3-yl)pentan-2-yl]-N-(3-oxobutyl)benzamide;4-[1-(4-chlorophenyl)-1-(7-fluoro-5-methyl-1H-indol-3-yl)pentan-2-yl]-N-(3-oxobutyl)benzamide;1-[4-[(1S)-1-[3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione;1-[4-[1-[3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione (PubChem CID 158930842) has the molecular formula C130H124Cl6F2N8O10 and a molecular weight of 2209.18 g/mol. Its IUPAC name is 4-[(1R,2S)-1-(4-chlorophenyl)-1-(7-fluoro-5-methyl-1H-indol-3-yl)pentan-2-yl]-N-(3-oxobutyl)benzamide;4-[1-(4-chlorophenyl)-1-(7-fluoro-5-methyl-1H-indol-3-yl)pentan-2-yl]-N-(3-oxobutyl)benzamide;1-[4-[(1S)-1-[3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione;1-[4-[1-[3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione.

Molecular Properties

• Compound Name: 4-[(1R,2S)-1-(4-chlorophenyl)-1-(7-fluoro-5-methyl-1H-indol-3-yl)pentan-2-yl]-N-(3-oxobutyl)benzamide;4-[1-(4-chlorophenyl)-1-(7-fluoro-5-methyl-1H-indol-3-yl)pentan-2-yl]-N-(3-oxobutyl)benzamide;1-[4-[(1S)-1-[3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione;1-[4-[1-[3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione
• PubChem CID: 158930842
• Molecular Formula: C130H124Cl6F2N8O10
• Molecular Weight: 2209.18 g/mol
• Exact Mass: 2204.75
• IUPAC Name: 4-[(1R,2S)-1-(4-chlorophenyl)-1-(7-fluoro-5-methyl-1H-indol-3-yl)pentan-2-yl]-N-(3-oxobutyl)benzamide;4-[1-(4-chlorophenyl)-1-(7-fluoro-5-methyl-1H-indol-3-yl)pentan-2-yl]-N-(3-oxobutyl)benzamide;1-[4-[(1S)-1-[3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione;1-[4-[1-[3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione
• SMILES: CCCC(c1ccc(C(=O)NCCC(C)=O)cc1)C(c1ccc(Cl)cc1)c1c[nH]c2c(F)cc(C)cc12.CCC[C@H](c1ccc(C(=O)NCCC(C)=O)cc1)[C@H](c1ccc(Cl)cc1)c1c[nH]c2c(F)cc(C)cc12.COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3C(C)c3ccc(C(=O)CCCC(C)=O)cc3)ccc2c1.COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3[C@@H](C)c3ccc(C(=O)CCCC(C)=O)cc3)ccc2c1
• InChI: InChI=1S/2C34H30Cl2N2O3.2C31H32ClFN2O2/c2*1-21(39)5-4-6-34(40)24-9-7-23(8-10-24)22(2)38-33(20-32(37-38)28-16-29(35)19-30(36)17-28)27-12-11-26-18-31(41-3)14-13-25(26)15-27;2*1-4-5-25(21-6-8-23(9-7-21)31(37)34-15-14-20(3)36)29(22-10-12-24(32)13-11-22)27-18-35-30-26(27)16-19(2)17-28(30)33/h2*7-20,22H,4-6H2,1-3H3;2*6-13,16-18,25,29,35H,4-5,14-15H2,1-3H3,(H,34,37)/t22-;;25-,29+;/m0.1./s1
• InChIKey: JJAMWUNGYFAQKB-LVQDTIBXSA-N
• XLogP: 33.86
• TPSA: 246.30 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 40
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2209.18
LogP ≤ 5	33.86
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2S)-1-(4-chlorophenyl)-1-(7-fluoro-5-methyl-1H-indol-3-yl)pentan-2-yl]-N-(3-oxobutyl)benzamide;4-[1-(4-chlorophenyl)-1-(7-fluoro-5-methyl-1H-indol-3-yl)pentan-2-yl]-N-(3-oxobutyl)benzamide;1-[4-[(1S)-1-[3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione;1-[4-[1-[3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione?

The IUPAC name of 4-[(1R,2S)-1-(4-chlorophenyl)-1-(7-fluoro-5-methyl-1H-indol-3-yl)pentan-2-yl]-N-(3-oxobutyl)benzamide;4-[1-(4-chlorophenyl)-1-(7-fluoro-5-methyl-1H-indol-3-yl)pentan-2-yl]-N-(3-oxobutyl)benzamide;1-[4-[(1S)-1-[3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione;1-[4-[1-[3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione (CID 158930842) is 4-[(1R,2S)-1-(4-chlorophenyl)-1-(7-fluoro-5-methyl-1H-indol-3-yl)pentan-2-yl]-N-(3-oxobutyl)benzamide;4-[1-(4-chlorophenyl)-1-(7-fluoro-5-methyl-1H-indol-3-yl)pentan-2-yl]-N-(3-oxobutyl)benzamide;1-[4-[(1S)-1-[3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione;1-[4-[1-[3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione.

What is the SMILES notation for 4-[(1R,2S)-1-(4-chlorophenyl)-1-(7-fluoro-5-methyl-1H-indol-3-yl)pentan-2-yl]-N-(3-oxobutyl)benzamide;4-[1-(4-chlorophenyl)-1-(7-fluoro-5-methyl-1H-indol-3-yl)pentan-2-yl]-N-(3-oxobutyl)benzamide;1-[4-[(1S)-1-[3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione;1-[4-[1-[3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione?

The canonical SMILES for 4-[(1R,2S)-1-(4-chlorophenyl)-1-(7-fluoro-5-methyl-1H-indol-3-yl)pentan-2-yl]-N-(3-oxobutyl)benzamide;4-[1-(4-chlorophenyl)-1-(7-fluoro-5-methyl-1H-indol-3-yl)pentan-2-yl]-N-(3-oxobutyl)benzamide;1-[4-[(1S)-1-[3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione;1-[4-[1-[3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione is CCCC(c1ccc(C(=O)NCCC(C)=O)cc1)C(c1ccc(Cl)cc1)c1c[nH]c2c(F)cc(C)cc12.CCC[C@H](c1ccc(C(=O)NCCC(C)=O)cc1)[C@H](c1ccc(Cl)cc1)c1c[nH]c2c(F)cc(C)cc12.COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3C(C)c3ccc(C(=O)CCCC(C)=O)cc3)ccc2c1.COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3[C@@H](C)c3ccc(C(=O)CCCC(C)=O)cc3)ccc2c1.

What is the InChIKey of 4-[(1R,2S)-1-(4-chlorophenyl)-1-(7-fluoro-5-methyl-1H-indol-3-yl)pentan-2-yl]-N-(3-oxobutyl)benzamide;4-[1-(4-chlorophenyl)-1-(7-fluoro-5-methyl-1H-indol-3-yl)pentan-2-yl]-N-(3-oxobutyl)benzamide;1-[4-[(1S)-1-[3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione;1-[4-[1-[3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione?

The InChIKey is JJAMWUNGYFAQKB-LVQDTIBXSA-N. The full InChI is InChI=1S/2C34H30Cl2N2O3.2C31H32ClFN2O2/c2*1-21(39)5-4-6-34(40)24-9-7-23(8-10-24)22(2)38-33(20-32(37-38)28-16-29(35)19-30(36)17-28)27-12-11-26-18-31(41-3)14-13-25(26)15-27;2*1-4-5-25(21-6-8-23(9-7-21)31(37)34-15-14-20(3)36)29(22-10-12-24(32)13-11-22)27-18-35-30-26(27)16-19(2)17-28(30)33/h2*7-20,22H,4-6H2,1-3H3;2*6-13,16-18,25,29,35H,4-5,14-15H2,1-3H3,(H,34,37)/t22-;;25-,29+;/m0.1./s1.

What are the key properties of 4-[(1R,2S)-1-(4-chlorophenyl)-1-(7-fluoro-5-methyl-1H-indol-3-yl)pentan-2-yl]-N-(3-oxobutyl)benzamide;4-[1-(4-chlorophenyl)-1-(7-fluoro-5-methyl-1H-indol-3-yl)pentan-2-yl]-N-(3-oxobutyl)benzamide;1-[4-[(1S)-1-[3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione;1-[4-[1-[3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione?

4-[(1R,2S)-1-(4-chlorophenyl)-1-(7-fluoro-5-methyl-1H-indol-3-yl)pentan-2-yl]-N-(3-oxobutyl)benzamide;4-[1-(4-chlorophenyl)-1-(7-fluoro-5-methyl-1H-indol-3-yl)pentan-2-yl]-N-(3-oxobutyl)benzamide;1-[4-[(1S)-1-[3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione;1-[4-[1-[3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione has a molecular weight of 2209.18 g/mol, XLogP of 33.86, 40 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(1R,2S)-1-(4-chlorophenyl)-1-(7-fluoro-5-methyl-1H-indol-3-yl)pentan-2-yl]-N-(3-oxobutyl)benzamide;4-[1-(4-chlorophenyl)-1-(7-fluoro-5-methyl-1H-indol-3-yl)pentan-2-yl]-N-(3-oxobutyl)benzamide;1-[4-[(1S)-1-[3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione;1-[4-[1-[3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione is sourced from PubChem (CID 158930842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).