3-[3-[[1-[3,5-bis(trifluoromethyl)phenyl]-4-methylpentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;1-[3-[[1-(3,5-difluorophenyl)-4-methylpentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]propan-2-one;5-methyl-3-[3-[[4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;1-[3-[[4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]propan-2-one

C124H130F26N4O4 — CID 160595602

IUPAC3-[3-[[1-[3,5-bis(trifluoromethyl)phenyl]-4-methylpentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;1-[3-[[1-(3,5-difluorophenyl)-4-methylpentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]propan-2-one;5-methyl-3-[3-[[4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;1-[3-[[4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]propan-2-one
SMILESCC(=O)C(CC(C)C)c1cc(NC(CCC(C)C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(-c2ccc(C(F)(F)F)cc2)c1.CC(=O)C(CC(C)C)c1cc(NC(CCC(C)C)c2ccc(C(F)(F)F)cc2)cc(-c2ccc(C(F)(F)F)cc2)c1.CC(=O)Cc1cc(NC(CCC(C)C)c2cc(F)cc(F)c2)cc(-c2ccc(C(F)(F)F)cc2)c1.CC(=O)Cc1cc(NC(CCC(C)C)c2ccc(C(F)(F)F)cc2)cc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C34H36F9NO.C33H37F6NO.C29H29F6NO.C28H28F5NO/c1-19(2)6-11-31(25-14-27(33(38,39)40)18-28(15-25)34(41,42)43)44-29-16-23(22-7-9-26(10-8-22)32(35,36)37)13-24(17-29)30(21(5)45)12-20(3)4;1-20(2)6-15-31(24-9-13-28(14-10-24)33(37,38)39)40-29-18-25(23-7-11-27(12-8-23)32(34,35)36)17-26(19-29)30(22(5)41)16-21(3)4;1-18(2)4-13-27(22-7-11-25(12-8-22)29(33,34)35)36-26-16-20(14-19(3)37)15-23(17-26)21-5-9-24(10-6-21)28(30,31)32;1-17(2)4-9-27(22-13-24(29)16-25(30)14-22)34-26-12-19(10-18(3)35)11-21(15-26)20-5-7-23(8-6-20)28(31,32)33/h7-10,13-20,30-31,44H,6,11-12H2,1-5H3;7-14,17-21,30-31,40H,6,15-16H2,1-5H3;5-12,15-18,27,36H,4,13-14H2,1-3H3;5-8,11-17,27,34H,4,9-10H2,1-3H3
InChIKeyRDOXKPPIFSAHHD-UHFFFAOYSA-N
MW2234.38 g/mol
LogP39.90
Rot. Bonds40

About 3-[3-[[1-[3,5-bis(trifluoromethyl)phenyl]-4-methylpentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;1-[3-[[1-(3,5-difluorophenyl)-4-methylpentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]propan-2-one;5-methyl-3-[3-[[4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;1-[3-[[4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]propan-2-one

3-[3-[[1-[3,5-bis(trifluoromethyl)phenyl]-4-methylpentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;1-[3-[[1-(3,5-difluorophenyl)-4-methylpentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]propan-2-one;5-methyl-3-[3-[[4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;1-[3-[[4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]propan-2-one (PubChem CID 160595602) has the molecular formula C124H130F26N4O4 and a molecular weight of 2234.38 g/mol. Its IUPAC name is 3-[3-[[1-[3,5-bis(trifluoromethyl)phenyl]-4-methylpentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;1-[3-[[1-(3,5-difluorophenyl)-4-methylpentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]propan-2-one;5-methyl-3-[3-[[4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;1-[3-[[4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]propan-2-one.

Molecular Properties

Compound Name3-[3-[[1-[3,5-bis(trifluoromethyl)phenyl]-4-methylpentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;1-[3-[[1-(3,5-difluorophenyl)-4-methylpentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]propan-2-one;5-methyl-3-[3-[[4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;1-[3-[[4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]propan-2-one
PubChem CID160595602
Molecular FormulaC124H130F26N4O4
Molecular Weight2234.38 g/mol
Exact Mass2232.97
IUPAC Name3-[3-[[1-[3,5-bis(trifluoromethyl)phenyl]-4-methylpentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;1-[3-[[1-(3,5-difluorophenyl)-4-methylpentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]propan-2-one;5-methyl-3-[3-[[4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;1-[3-[[4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]propan-2-one
SMILESCC(=O)C(CC(C)C)c1cc(NC(CCC(C)C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(-c2ccc(C(F)(F)F)cc2)c1.CC(=O)C(CC(C)C)c1cc(NC(CCC(C)C)c2ccc(C(F)(F)F)cc2)cc(-c2ccc(C(F)(F)F)cc2)c1.CC(=O)Cc1cc(NC(CCC(C)C)c2cc(F)cc(F)c2)cc(-c2ccc(C(F)(F)F)cc2)c1.CC(=O)Cc1cc(NC(CCC(C)C)c2ccc(C(F)(F)F)cc2)cc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C34H36F9NO.C33H37F6NO.C29H29F6NO.C28H28F5NO/c1-19(2)6-11-31(25-14-27(33(38,39)40)18-28(15-25)34(41,42)43)44-29-16-23(22-7-9-26(10-8-22)32(35,36)37)13-24(17-29)30(21(5)45)12-20(3)4;1-20(2)6-15-31(24-9-13-28(14-10-24)33(37,38)39)40-29-18-25(23-7-11-27(12-8-23)32(34,35)36)17-26(19-29)30(22(5)41)16-21(3)4;1-18(2)4-13-27(22-7-11-25(12-8-22)29(33,34)35)36-26-16-20(14-19(3)37)15-23(17-26)21-5-9-24(10-6-21)28(30,31)32;1-17(2)4-9-27(22-13-24(29)16-25(30)14-22)34-26-12-19(10-18(3)35)11-21(15-26)20-5-7-23(8-6-20)28(31,32)33/h7-10,13-20,30-31,44H,6,11-12H2,1-5H3;7-14,17-21,30-31,40H,6,15-16H2,1-5H3;5-12,15-18,27,36H,4,13-14H2,1-3H3;5-8,11-17,27,34H,4,9-10H2,1-3H3
InChIKeyRDOXKPPIFSAHHD-UHFFFAOYSA-N
XLogP39.90
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds40
Heavy Atoms158
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002234.38
LogP ≤ 539.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 3-[3-[[1-[3,5-bis(trifluoromethyl)phenyl]-4-methylpentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;1-[3-[[1-(3,5-difluorophenyl)-4-methylpentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]propan-2-one;5-methyl-3-[3-[[4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;1-[3-[[4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]propan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[[1-[3,5-bis(trifluoromethyl)phenyl]-4-methylpentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;1-[3-[[1-(3,5-difluorophenyl)-4-methylpentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]propan-2-one;5-methyl-3-[3-[[4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;1-[3-[[4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]propan-2-one?
The IUPAC name of 3-[3-[[1-[3,5-bis(trifluoromethyl)phenyl]-4-methylpentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;1-[3-[[1-(3,5-difluorophenyl)-4-methylpentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]propan-2-one;5-methyl-3-[3-[[4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;1-[3-[[4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]propan-2-one (CID 160595602) is 3-[3-[[1-[3,5-bis(trifluoromethyl)phenyl]-4-methylpentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;1-[3-[[1-(3,5-difluorophenyl)-4-methylpentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]propan-2-one;5-methyl-3-[3-[[4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;1-[3-[[4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]propan-2-one.
What is the SMILES notation for 3-[3-[[1-[3,5-bis(trifluoromethyl)phenyl]-4-methylpentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;1-[3-[[1-(3,5-difluorophenyl)-4-methylpentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]propan-2-one;5-methyl-3-[3-[[4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;1-[3-[[4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]propan-2-one?
The canonical SMILES for 3-[3-[[1-[3,5-bis(trifluoromethyl)phenyl]-4-methylpentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;1-[3-[[1-(3,5-difluorophenyl)-4-methylpentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]propan-2-one;5-methyl-3-[3-[[4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;1-[3-[[4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]propan-2-one is CC(=O)C(CC(C)C)c1cc(NC(CCC(C)C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(-c2ccc(C(F)(F)F)cc2)c1.CC(=O)C(CC(C)C)c1cc(NC(CCC(C)C)c2ccc(C(F)(F)F)cc2)cc(-c2ccc(C(F)(F)F)cc2)c1.CC(=O)Cc1cc(NC(CCC(C)C)c2cc(F)cc(F)c2)cc(-c2ccc(C(F)(F)F)cc2)c1.CC(=O)Cc1cc(NC(CCC(C)C)c2ccc(C(F)(F)F)cc2)cc(-c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 3-[3-[[1-[3,5-bis(trifluoromethyl)phenyl]-4-methylpentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;1-[3-[[1-(3,5-difluorophenyl)-4-methylpentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]propan-2-one;5-methyl-3-[3-[[4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;1-[3-[[4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]propan-2-one?
The InChIKey is RDOXKPPIFSAHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36F9NO.C33H37F6NO.C29H29F6NO.C28H28F5NO/c1-19(2)6-11-31(25-14-27(33(38,39)40)18-28(15-25)34(41,42)43)44-29-16-23(22-7-9-26(10-8-22)32(35,36)37)13-24(17-29)30(21(5)45)12-20(3)4;1-20(2)6-15-31(24-9-13-28(14-10-24)33(37,38)39)40-29-18-25(23-7-11-27(12-8-23)32(34,35)36)17-26(19-29)30(22(5)41)16-21(3)4;1-18(2)4-13-27(22-7-11-25(12-8-22)29(33,34)35)36-26-16-20(14-19(3)37)15-23(17-26)21-5-9-24(10-6-21)28(30,31)32;1-17(2)4-9-27(22-13-24(29)16-25(30)14-22)34-26-12-19(10-18(3)35)11-21(15-26)20-5-7-23(8-6-20)28(31,32)33/h7-10,13-20,30-31,44H,6,11-12H2,1-5H3;7-14,17-21,30-31,40H,6,15-16H2,1-5H3;5-12,15-18,27,36H,4,13-14H2,1-3H3;5-8,11-17,27,34H,4,9-10H2,1-3H3.
What are the key properties of 3-[3-[[1-[3,5-bis(trifluoromethyl)phenyl]-4-methylpentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;1-[3-[[1-(3,5-difluorophenyl)-4-methylpentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]propan-2-one;5-methyl-3-[3-[[4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;1-[3-[[4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]propan-2-one?
3-[3-[[1-[3,5-bis(trifluoromethyl)phenyl]-4-methylpentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;1-[3-[[1-(3,5-difluorophenyl)-4-methylpentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]propan-2-one;5-methyl-3-[3-[[4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;1-[3-[[4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]propan-2-one has a molecular weight of 2234.38 g/mol, XLogP of 39.90, 40 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[1-[3,5-bis(trifluoromethyl)phenyl]-4-methylpentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;1-[3-[[1-(3,5-difluorophenyl)-4-methylpentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]propan-2-one;5-methyl-3-[3-[[4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;1-[3-[[4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]amino]-5-[4-(trifluoromethyl)phenyl]phenyl]propan-2-one is sourced from PubChem (CID 160595602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).