(3R)-3-[3-[(3,5-difluorophenyl)methylamino]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;(3R)-5-methyl-3-[3-[3-methylbutyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;5-methyl-3-[3-[3-methylbutyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;(3R)-5-methyl-3-[3-[4-(trifluoromethyl)phenyl]-5-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]hexan-2-one

C121H127F23N4O5 — CID 158786180

IUPAC(3R)-3-[3-[(3,5-difluorophenyl)methylamino]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;(3R)-5-methyl-3-[3-[3-methylbutyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;5-methyl-3-[3-[3-methylbutyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;(3R)-5-methyl-3-[3-[4-(trifluoromethyl)phenyl]-5-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]hexan-2-one
SMILESCC(=O)C(CC(C)C)c1cc(-c2ccc(C(F)(F)F)cc2)cc(N(CCC(C)C)Cc2ccc(C(F)(F)F)cc2)c1.CC(=O)[C@H](CC(C)C)c1cc(-c2ccc(C(F)(F)F)cc2)cc(N(CCC(C)C)Cc2ccc(OC(F)(F)F)cc2)c1.CC(=O)[C@H](CC(C)C)c1cc(NCc2cc(F)cc(F)c2)cc(-c2ccc(C(F)(F)F)cc2)c1.CC(=O)[C@H](CC(C)C)c1cc(NCc2ccc(C(F)(F)F)cc2)cc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C33H37F6NO2.C33H37F6NO.C28H27F6NO.C27H26F5NO/c1-21(2)14-15-40(20-24-6-12-30(13-7-24)42-33(37,38)39)29-18-26(25-8-10-28(11-9-25)32(34,35)36)17-27(19-29)31(23(5)41)16-22(3)4;1-21(2)14-15-40(20-24-6-10-28(11-7-24)32(34,35)36)30-18-26(25-8-12-29(13-9-25)33(37,38)39)17-27(19-30)31(23(5)41)16-22(3)4;1-17(2)12-26(18(3)36)22-13-21(20-6-10-24(11-7-20)28(32,33)34)14-25(15-22)35-16-19-4-8-23(9-5-19)27(29,30)31;1-16(2)8-26(17(3)34)21-11-20(19-4-6-22(7-5-19)27(30,31)32)12-25(13-21)33-15-18-9-23(28)14-24(29)10-18/h6-13,17-19,21-22,31H,14-16,20H2,1-5H3;6-13,17-19,21-22,31H,14-16,20H2,1-5H3;4-11,13-15,17,26,35H,12,16H2,1-3H3;4-7,9-14,16,26,33H,8,15H2,1-3H3/t31-;;2*26-/m0.00/s1
InChIKeyIRSDVIDRGXELBT-HRGRHHEPSA-N
MW2154.32 g/mol
LogP36.91
Rot. Bonds39

About (3R)-3-[3-[(3,5-difluorophenyl)methylamino]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;(3R)-5-methyl-3-[3-[3-methylbutyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;5-methyl-3-[3-[3-methylbutyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;(3R)-5-methyl-3-[3-[4-(trifluoromethyl)phenyl]-5-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]hexan-2-one

(3R)-3-[3-[(3,5-difluorophenyl)methylamino]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;(3R)-5-methyl-3-[3-[3-methylbutyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;5-methyl-3-[3-[3-methylbutyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;(3R)-5-methyl-3-[3-[4-(trifluoromethyl)phenyl]-5-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]hexan-2-one (PubChem CID 158786180) has the molecular formula C121H127F23N4O5 and a molecular weight of 2154.32 g/mol. Its IUPAC name is (3R)-3-[3-[(3,5-difluorophenyl)methylamino]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;(3R)-5-methyl-3-[3-[3-methylbutyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;5-methyl-3-[3-[3-methylbutyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;(3R)-5-methyl-3-[3-[4-(trifluoromethyl)phenyl]-5-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]hexan-2-one.

Molecular Properties

Compound Name(3R)-3-[3-[(3,5-difluorophenyl)methylamino]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;(3R)-5-methyl-3-[3-[3-methylbutyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;5-methyl-3-[3-[3-methylbutyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;(3R)-5-methyl-3-[3-[4-(trifluoromethyl)phenyl]-5-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]hexan-2-one
PubChem CID158786180
Molecular FormulaC121H127F23N4O5
Molecular Weight2154.32 g/mol
Exact Mass2152.94
IUPAC Name(3R)-3-[3-[(3,5-difluorophenyl)methylamino]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;(3R)-5-methyl-3-[3-[3-methylbutyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;5-methyl-3-[3-[3-methylbutyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;(3R)-5-methyl-3-[3-[4-(trifluoromethyl)phenyl]-5-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]hexan-2-one
SMILESCC(=O)C(CC(C)C)c1cc(-c2ccc(C(F)(F)F)cc2)cc(N(CCC(C)C)Cc2ccc(C(F)(F)F)cc2)c1.CC(=O)[C@H](CC(C)C)c1cc(-c2ccc(C(F)(F)F)cc2)cc(N(CCC(C)C)Cc2ccc(OC(F)(F)F)cc2)c1.CC(=O)[C@H](CC(C)C)c1cc(NCc2cc(F)cc(F)c2)cc(-c2ccc(C(F)(F)F)cc2)c1.CC(=O)[C@H](CC(C)C)c1cc(NCc2ccc(C(F)(F)F)cc2)cc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C33H37F6NO2.C33H37F6NO.C28H27F6NO.C27H26F5NO/c1-21(2)14-15-40(20-24-6-12-30(13-7-24)42-33(37,38)39)29-18-26(25-8-10-28(11-9-25)32(34,35)36)17-27(19-29)31(23(5)41)16-22(3)4;1-21(2)14-15-40(20-24-6-10-28(11-7-24)32(34,35)36)30-18-26(25-8-12-29(13-9-25)33(37,38)39)17-27(19-30)31(23(5)41)16-22(3)4;1-17(2)12-26(18(3)36)22-13-21(20-6-10-24(11-7-20)28(32,33)34)14-25(15-22)35-16-19-4-8-23(9-5-19)27(29,30)31;1-16(2)8-26(17(3)34)21-11-20(19-4-6-22(7-5-19)27(30,31)32)12-25(13-21)33-15-18-9-23(28)14-24(29)10-18/h6-13,17-19,21-22,31H,14-16,20H2,1-5H3;6-13,17-19,21-22,31H,14-16,20H2,1-5H3;4-11,13-15,17,26,35H,12,16H2,1-3H3;4-7,9-14,16,26,33H,8,15H2,1-3H3/t31-;;2*26-/m0.00/s1
InChIKeyIRSDVIDRGXELBT-HRGRHHEPSA-N
XLogP36.91
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds39
Heavy Atoms153
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002154.32
LogP ≤ 536.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (3R)-3-[3-[(3,5-difluorophenyl)methylamino]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;(3R)-5-methyl-3-[3-[3-methylbutyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;5-methyl-3-[3-[3-methylbutyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;(3R)-5-methyl-3-[3-[4-(trifluoromethyl)phenyl]-5-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]hexan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[3-[(3,5-difluorophenyl)methylamino]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;(3R)-5-methyl-3-[3-[3-methylbutyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;5-methyl-3-[3-[3-methylbutyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;(3R)-5-methyl-3-[3-[4-(trifluoromethyl)phenyl]-5-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]hexan-2-one?
The IUPAC name of (3R)-3-[3-[(3,5-difluorophenyl)methylamino]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;(3R)-5-methyl-3-[3-[3-methylbutyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;5-methyl-3-[3-[3-methylbutyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;(3R)-5-methyl-3-[3-[4-(trifluoromethyl)phenyl]-5-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]hexan-2-one (CID 158786180) is (3R)-3-[3-[(3,5-difluorophenyl)methylamino]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;(3R)-5-methyl-3-[3-[3-methylbutyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;5-methyl-3-[3-[3-methylbutyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;(3R)-5-methyl-3-[3-[4-(trifluoromethyl)phenyl]-5-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]hexan-2-one.
What is the SMILES notation for (3R)-3-[3-[(3,5-difluorophenyl)methylamino]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;(3R)-5-methyl-3-[3-[3-methylbutyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;5-methyl-3-[3-[3-methylbutyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;(3R)-5-methyl-3-[3-[4-(trifluoromethyl)phenyl]-5-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]hexan-2-one?
The canonical SMILES for (3R)-3-[3-[(3,5-difluorophenyl)methylamino]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;(3R)-5-methyl-3-[3-[3-methylbutyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;5-methyl-3-[3-[3-methylbutyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;(3R)-5-methyl-3-[3-[4-(trifluoromethyl)phenyl]-5-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]hexan-2-one is CC(=O)C(CC(C)C)c1cc(-c2ccc(C(F)(F)F)cc2)cc(N(CCC(C)C)Cc2ccc(C(F)(F)F)cc2)c1.CC(=O)[C@H](CC(C)C)c1cc(-c2ccc(C(F)(F)F)cc2)cc(N(CCC(C)C)Cc2ccc(OC(F)(F)F)cc2)c1.CC(=O)[C@H](CC(C)C)c1cc(NCc2cc(F)cc(F)c2)cc(-c2ccc(C(F)(F)F)cc2)c1.CC(=O)[C@H](CC(C)C)c1cc(NCc2ccc(C(F)(F)F)cc2)cc(-c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of (3R)-3-[3-[(3,5-difluorophenyl)methylamino]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;(3R)-5-methyl-3-[3-[3-methylbutyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;5-methyl-3-[3-[3-methylbutyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;(3R)-5-methyl-3-[3-[4-(trifluoromethyl)phenyl]-5-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]hexan-2-one?
The InChIKey is IRSDVIDRGXELBT-HRGRHHEPSA-N. The full InChI is InChI=1S/C33H37F6NO2.C33H37F6NO.C28H27F6NO.C27H26F5NO/c1-21(2)14-15-40(20-24-6-12-30(13-7-24)42-33(37,38)39)29-18-26(25-8-10-28(11-9-25)32(34,35)36)17-27(19-29)31(23(5)41)16-22(3)4;1-21(2)14-15-40(20-24-6-10-28(11-7-24)32(34,35)36)30-18-26(25-8-12-29(13-9-25)33(37,38)39)17-27(19-30)31(23(5)41)16-22(3)4;1-17(2)12-26(18(3)36)22-13-21(20-6-10-24(11-7-20)28(32,33)34)14-25(15-22)35-16-19-4-8-23(9-5-19)27(29,30)31;1-16(2)8-26(17(3)34)21-11-20(19-4-6-22(7-5-19)27(30,31)32)12-25(13-21)33-15-18-9-23(28)14-24(29)10-18/h6-13,17-19,21-22,31H,14-16,20H2,1-5H3;6-13,17-19,21-22,31H,14-16,20H2,1-5H3;4-11,13-15,17,26,35H,12,16H2,1-3H3;4-7,9-14,16,26,33H,8,15H2,1-3H3/t31-;;2*26-/m0.00/s1.
What are the key properties of (3R)-3-[3-[(3,5-difluorophenyl)methylamino]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;(3R)-5-methyl-3-[3-[3-methylbutyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;5-methyl-3-[3-[3-methylbutyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;(3R)-5-methyl-3-[3-[4-(trifluoromethyl)phenyl]-5-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]hexan-2-one?
(3R)-3-[3-[(3,5-difluorophenyl)methylamino]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;(3R)-5-methyl-3-[3-[3-methylbutyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;5-methyl-3-[3-[3-methylbutyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;(3R)-5-methyl-3-[3-[4-(trifluoromethyl)phenyl]-5-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]hexan-2-one has a molecular weight of 2154.32 g/mol, XLogP of 36.91, 39 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[3-[(3,5-difluorophenyl)methylamino]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;(3R)-5-methyl-3-[3-[3-methylbutyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;5-methyl-3-[3-[3-methylbutyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;(3R)-5-methyl-3-[3-[4-(trifluoromethyl)phenyl]-5-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]hexan-2-one is sourced from PubChem (CID 158786180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).