N-[4-(4-cyanophenyl)cyclohexyl]-N-methyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(2-cyano-3-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(6-cyano-2-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-[4-(4-fluorophenyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide)

C124H131F17N10O10 — CID 159045754

IUPACN-[4-(4-cyanophenyl)cyclohexyl]-N-methyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(2-cyano-3-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(6-cyano-2-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-[4-(4-fluorophenyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide)
SMILESCN(C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1)C1CCC(c2ccc(C#N)cc2)CC1.C[C@](O)(c1ccc(C(=O)N(C2CCC(c3ccc(F)cc3)CC2)C2CC2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CCC(c3ccc(F)cc3)CC2)C2CC2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CCC(c3cccc(C#N)n3)CC2)C2CC2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CCC(c3cccnc3C#N)CC2)C2CC2)cc1)C(F)(F)F
InChIInChI=1S/2C25H27F4NO2.2C25H26F3N3O2.C24H25F3N2O2/c2*1-24(32,25(27,28)29)19-8-2-18(3-9-19)23(31)30(22-14-15-22)21-12-6-17(7-13-21)16-4-10-20(26)11-5-16;1-24(33,25(26,27)28)18-8-4-17(5-9-18)23(32)31(20-12-13-20)19-10-6-16(7-11-19)21-3-2-14-30-22(21)15-29;1-24(33,25(26,27)28)18-9-5-17(6-10-18)23(32)31(21-13-14-21)20-11-7-16(8-12-20)22-4-2-3-19(15-29)30-22;1-23(31,24(25,26)27)20-11-7-19(8-12-20)22(30)29(2)21-13-9-18(10-14-21)17-5-3-16(15-28)4-6-17/h2*2-5,8-11,17,21-22,32H,6-7,12-15H2,1H3;2-5,8-9,14,16,19-20,33H,6-7,10-13H2,1H3;2-6,9-10,16,20-21,33H,7-8,11-14H2,1H3;3-8,11-12,18,21,31H,9-10,13-14H2,1-2H3/t2*17?,21?,24-;16?,19?,24-;16?,20?,24-;18?,21?,23-/m00000/s1
InChIKeyJWPZASCSNILWDA-FBYBJXTISA-N
MW2244.44 g/mol
LogP27.09
Rot. Bonds24

About N-[4-(4-cyanophenyl)cyclohexyl]-N-methyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(2-cyano-3-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(6-cyano-2-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-[4-(4-fluorophenyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide)

N-[4-(4-cyanophenyl)cyclohexyl]-N-methyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(2-cyano-3-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(6-cyano-2-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-[4-(4-fluorophenyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide) (PubChem CID 159045754) has the molecular formula C124H131F17N10O10 and a molecular weight of 2244.44 g/mol. Its IUPAC name is N-[4-(4-cyanophenyl)cyclohexyl]-N-methyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(2-cyano-3-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(6-cyano-2-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-[4-(4-fluorophenyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide).

Molecular Properties

Compound NameN-[4-(4-cyanophenyl)cyclohexyl]-N-methyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(2-cyano-3-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(6-cyano-2-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-[4-(4-fluorophenyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide)
PubChem CID159045754
Molecular FormulaC124H131F17N10O10
Molecular Weight2244.44 g/mol
Exact Mass2242.98
IUPAC NameN-[4-(4-cyanophenyl)cyclohexyl]-N-methyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(2-cyano-3-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(6-cyano-2-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-[4-(4-fluorophenyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide)
SMILESCN(C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1)C1CCC(c2ccc(C#N)cc2)CC1.C[C@](O)(c1ccc(C(=O)N(C2CCC(c3ccc(F)cc3)CC2)C2CC2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CCC(c3ccc(F)cc3)CC2)C2CC2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CCC(c3cccc(C#N)n3)CC2)C2CC2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CCC(c3cccnc3C#N)CC2)C2CC2)cc1)C(F)(F)F
InChIInChI=1S/2C25H27F4NO2.2C25H26F3N3O2.C24H25F3N2O2/c2*1-24(32,25(27,28)29)19-8-2-18(3-9-19)23(31)30(22-14-15-22)21-12-6-17(7-13-21)16-4-10-20(26)11-5-16;1-24(33,25(26,27)28)18-8-4-17(5-9-18)23(32)31(20-12-13-20)19-10-6-16(7-11-19)21-3-2-14-30-22(21)15-29;1-24(33,25(26,27)28)18-9-5-17(6-10-18)23(32)31(21-13-14-21)20-11-7-16(8-12-20)22-4-2-3-19(15-29)30-22;1-23(31,24(25,26)27)20-11-7-19(8-12-20)22(30)29(2)21-13-9-18(10-14-21)17-5-3-16(15-28)4-6-17/h2*2-5,8-11,17,21-22,32H,6-7,12-15H2,1H3;2-5,8-9,14,16,19-20,33H,6-7,10-13H2,1H3;2-6,9-10,16,20-21,33H,7-8,11-14H2,1H3;3-8,11-12,18,21,31H,9-10,13-14H2,1-2H3/t2*17?,21?,24-;16?,19?,24-;16?,20?,24-;18?,21?,23-/m00000/s1
InChIKeyJWPZASCSNILWDA-FBYBJXTISA-N
XLogP27.09
TPSA299.85 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds24
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002244.44
LogP ≤ 527.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Analyze N-[4-(4-cyanophenyl)cyclohexyl]-N-methyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(2-cyano-3-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(6-cyano-2-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-[4-(4-fluorophenyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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Related Compounds

N-cyclopropyl-N-(trans-4-pyridin-3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide
CID 16726072
N-((1s,4R)-4-cyano-4-(pyridin-3-yl)cyclohexyl)-N-cyclopropyl-4-((S)-1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
CID 25019046
N-(4-cyano-4-pyridin-2-ylcyclohexyl)-N-cyclopropyl-4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 70681309
N-cyclopropyl-N-[(1R,3R)-3-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 15986161
N-cyclopropyl-N-[(1S,3S)-3-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 15986162
N-methyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 15987125
N-[4-(cyanomethyl)-4-pyridin-2-ylcyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 25015964
N-cyclopropyl-N-(4-fluoro-4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 25016221
N-(4-cyano-4-pyridin-4-ylcyclohexyl)-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 25018279
N-(4-cyano-4-pyridin-2-ylcyclohexyl)-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 25018525
N-cyclopropyl-N-(4-fluoro-4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 25019563
N-[4-cyano-4-(5-fluoropyridin-2-yl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 44564767

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyanophenyl)cyclohexyl]-N-methyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(2-cyano-3-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(6-cyano-2-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-[4-(4-fluorophenyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide)?
The IUPAC name of N-[4-(4-cyanophenyl)cyclohexyl]-N-methyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(2-cyano-3-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(6-cyano-2-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-[4-(4-fluorophenyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide) (CID 159045754) is N-[4-(4-cyanophenyl)cyclohexyl]-N-methyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(2-cyano-3-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(6-cyano-2-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-[4-(4-fluorophenyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide).
What is the SMILES notation for N-[4-(4-cyanophenyl)cyclohexyl]-N-methyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(2-cyano-3-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(6-cyano-2-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-[4-(4-fluorophenyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide)?
The canonical SMILES for N-[4-(4-cyanophenyl)cyclohexyl]-N-methyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(2-cyano-3-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(6-cyano-2-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-[4-(4-fluorophenyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide) is CN(C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1)C1CCC(c2ccc(C#N)cc2)CC1.C[C@](O)(c1ccc(C(=O)N(C2CCC(c3ccc(F)cc3)CC2)C2CC2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CCC(c3ccc(F)cc3)CC2)C2CC2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CCC(c3cccc(C#N)n3)CC2)C2CC2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CCC(c3cccnc3C#N)CC2)C2CC2)cc1)C(F)(F)F.
What is the InChIKey of N-[4-(4-cyanophenyl)cyclohexyl]-N-methyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(2-cyano-3-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(6-cyano-2-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-[4-(4-fluorophenyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide)?
The InChIKey is JWPZASCSNILWDA-FBYBJXTISA-N. The full InChI is InChI=1S/2C25H27F4NO2.2C25H26F3N3O2.C24H25F3N2O2/c2*1-24(32,25(27,28)29)19-8-2-18(3-9-19)23(31)30(22-14-15-22)21-12-6-17(7-13-21)16-4-10-20(26)11-5-16;1-24(33,25(26,27)28)18-8-4-17(5-9-18)23(32)31(20-12-13-20)19-10-6-16(7-11-19)21-3-2-14-30-22(21)15-29;1-24(33,25(26,27)28)18-9-5-17(6-10-18)23(32)31(21-13-14-21)20-11-7-16(8-12-20)22-4-2-3-19(15-29)30-22;1-23(31,24(25,26)27)20-11-7-19(8-12-20)22(30)29(2)21-13-9-18(10-14-21)17-5-3-16(15-28)4-6-17/h2*2-5,8-11,17,21-22,32H,6-7,12-15H2,1H3;2-5,8-9,14,16,19-20,33H,6-7,10-13H2,1H3;2-6,9-10,16,20-21,33H,7-8,11-14H2,1H3;3-8,11-12,18,21,31H,9-10,13-14H2,1-2H3/t2*17?,21?,24-;16?,19?,24-;16?,20?,24-;18?,21?,23-/m00000/s1.
What are the key properties of N-[4-(4-cyanophenyl)cyclohexyl]-N-methyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(2-cyano-3-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(6-cyano-2-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-[4-(4-fluorophenyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide)?
N-[4-(4-cyanophenyl)cyclohexyl]-N-methyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(2-cyano-3-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(6-cyano-2-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-[4-(4-fluorophenyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide) has a molecular weight of 2244.44 g/mol, XLogP of 27.09, 24 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyanophenyl)cyclohexyl]-N-methyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(2-cyano-3-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(6-cyano-2-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-[4-(4-fluorophenyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide) is sourced from PubChem (CID 159045754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).