bis(N-[4-(4-cyanophenyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-cyclopropyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-pyridin-4-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;4-[4-[ethyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]cyclohexyl]benzamide

C123H137F15N10O11 — CID 157415829

IUPACbis(N-[4-(4-cyanophenyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-cyclopropyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-pyridin-4-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;4-[4-[ethyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]cyclohexyl]benzamide
SMILESCCN(C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1)C1CCC(c2ccc(C#N)cc2)CC1.CCN(C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1)C1CCC(c2ccc(C#N)cc2)CC1.CCN(C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1)C1CCC(c2ccc(C(N)=O)cc2)CC1.C[C@](O)(c1ccc(C(=O)N(C2CCC(c3ccccn3)CC2)C2CC2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CCC(c3ccncc3)CC2)C2CC2)cc1)C(F)(F)F
InChIInChI=1S/C25H29F3N2O3.2C25H27F3N2O2.2C24H27F3N2O2/c1-3-30(23(32)19-8-12-20(13-9-19)24(2,33)25(26,27)28)21-14-10-17(11-15-21)16-4-6-18(7-5-16)22(29)31;2*1-3-30(22-14-10-19(11-15-22)18-6-4-17(16-29)5-7-18)23(31)20-8-12-21(13-9-20)24(2,32)25(26,27)28;1-23(31,24(25,26)27)19-6-2-18(3-7-19)22(30)29(21-10-11-21)20-8-4-16(5-9-20)17-12-14-28-15-13-17;1-23(31,24(25,26)27)18-9-5-17(6-10-18)22(30)29(20-13-14-20)19-11-7-16(8-12-19)21-4-2-3-15-28-21/h4-9,12-13,17,21,33H,3,10-11,14-15H2,1-2H3,(H2,29,31);2*4-9,12-13,19,22,32H,3,10-11,14-15H2,1-2H3;2-3,6-7,12-16,20-21,31H,4-5,8-11H2,1H3;2-6,9-10,15-16,19-20,31H,7-8,11-14H2,1H3/t17?,21?,24-;2*19?,22?,24-;16?,20?,23-;16?,19?,23-/m00000/s1
InChIKeyBOVIXXSREJRLCW-CKNGYXFDSA-N
MW2216.48 g/mol
LogP26.14
Rot. Bonds26

About bis(N-[4-(4-cyanophenyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-cyclopropyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-pyridin-4-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;4-[4-[ethyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]cyclohexyl]benzamide

bis(N-[4-(4-cyanophenyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-cyclopropyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-pyridin-4-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;4-[4-[ethyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]cyclohexyl]benzamide (PubChem CID 157415829) has the molecular formula C123H137F15N10O11 and a molecular weight of 2216.48 g/mol. Its IUPAC name is bis(N-[4-(4-cyanophenyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-cyclopropyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-pyridin-4-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;4-[4-[ethyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]cyclohexyl]benzamide.

Molecular Properties

Compound Namebis(N-[4-(4-cyanophenyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-cyclopropyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-pyridin-4-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;4-[4-[ethyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]cyclohexyl]benzamide
PubChem CID157415829
Molecular FormulaC123H137F15N10O11
Molecular Weight2216.48 g/mol
Exact Mass2215.02
IUPAC Namebis(N-[4-(4-cyanophenyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-cyclopropyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-pyridin-4-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;4-[4-[ethyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]cyclohexyl]benzamide
SMILESCCN(C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1)C1CCC(c2ccc(C#N)cc2)CC1.CCN(C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1)C1CCC(c2ccc(C#N)cc2)CC1.CCN(C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1)C1CCC(c2ccc(C(N)=O)cc2)CC1.C[C@](O)(c1ccc(C(=O)N(C2CCC(c3ccccn3)CC2)C2CC2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CCC(c3ccncc3)CC2)C2CC2)cc1)C(F)(F)F
InChIInChI=1S/C25H29F3N2O3.2C25H27F3N2O2.2C24H27F3N2O2/c1-3-30(23(32)19-8-12-20(13-9-19)24(2,33)25(26,27)28)21-14-10-17(11-15-21)16-4-6-18(7-5-16)22(29)31;2*1-3-30(22-14-10-19(11-15-22)18-6-4-17(16-29)5-7-18)23(31)20-8-12-21(13-9-20)24(2,32)25(26,27)28;1-23(31,24(25,26)27)19-6-2-18(3-7-19)22(30)29(21-10-11-21)20-8-4-16(5-9-20)17-12-14-28-15-13-17;1-23(31,24(25,26)27)18-9-5-17(6-10-18)22(30)29(20-13-14-20)19-11-7-16(8-12-19)21-4-2-3-15-28-21/h4-9,12-13,17,21,33H,3,10-11,14-15H2,1-2H3,(H2,29,31);2*4-9,12-13,19,22,32H,3,10-11,14-15H2,1-2H3;2-3,6-7,12-16,20-21,31H,4-5,8-11H2,1H3;2-6,9-10,15-16,19-20,31H,7-8,11-14H2,1H3/t17?,21?,24-;2*19?,22?,24-;16?,20?,23-;16?,19?,23-/m00000/s1
InChIKeyBOVIXXSREJRLCW-CKNGYXFDSA-N
XLogP26.14
TPSA319.15 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds26
Heavy Atoms159
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002216.48
LogP ≤ 526.14
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Analyze bis(N-[4-(4-cyanophenyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-cyclopropyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-pyridin-4-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;4-[4-[ethyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]cyclohexyl]benzamide with MolForge

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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-(3-amino-3-oxopropyl)-4-pyridin-2-ylcyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 53326462
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

Frequently Asked Questions

What is the IUPAC name of bis(N-[4-(4-cyanophenyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-cyclopropyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-pyridin-4-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;4-[4-[ethyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]cyclohexyl]benzamide?
The IUPAC name of bis(N-[4-(4-cyanophenyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-cyclopropyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-pyridin-4-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;4-[4-[ethyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]cyclohexyl]benzamide (CID 157415829) is bis(N-[4-(4-cyanophenyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-cyclopropyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-pyridin-4-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;4-[4-[ethyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]cyclohexyl]benzamide.
What is the SMILES notation for bis(N-[4-(4-cyanophenyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-cyclopropyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-pyridin-4-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;4-[4-[ethyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]cyclohexyl]benzamide?
The canonical SMILES for bis(N-[4-(4-cyanophenyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-cyclopropyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-pyridin-4-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;4-[4-[ethyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]cyclohexyl]benzamide is CCN(C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1)C1CCC(c2ccc(C#N)cc2)CC1.CCN(C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1)C1CCC(c2ccc(C#N)cc2)CC1.CCN(C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1)C1CCC(c2ccc(C(N)=O)cc2)CC1.C[C@](O)(c1ccc(C(=O)N(C2CCC(c3ccccn3)CC2)C2CC2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CCC(c3ccncc3)CC2)C2CC2)cc1)C(F)(F)F.
What is the InChIKey of bis(N-[4-(4-cyanophenyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-cyclopropyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-pyridin-4-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;4-[4-[ethyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]cyclohexyl]benzamide?
The InChIKey is BOVIXXSREJRLCW-CKNGYXFDSA-N. The full InChI is InChI=1S/C25H29F3N2O3.2C25H27F3N2O2.2C24H27F3N2O2/c1-3-30(23(32)19-8-12-20(13-9-19)24(2,33)25(26,27)28)21-14-10-17(11-15-21)16-4-6-18(7-5-16)22(29)31;2*1-3-30(22-14-10-19(11-15-22)18-6-4-17(16-29)5-7-18)23(31)20-8-12-21(13-9-20)24(2,32)25(26,27)28;1-23(31,24(25,26)27)19-6-2-18(3-7-19)22(30)29(21-10-11-21)20-8-4-16(5-9-20)17-12-14-28-15-13-17;1-23(31,24(25,26)27)18-9-5-17(6-10-18)22(30)29(20-13-14-20)19-11-7-16(8-12-19)21-4-2-3-15-28-21/h4-9,12-13,17,21,33H,3,10-11,14-15H2,1-2H3,(H2,29,31);2*4-9,12-13,19,22,32H,3,10-11,14-15H2,1-2H3;2-3,6-7,12-16,20-21,31H,4-5,8-11H2,1H3;2-6,9-10,15-16,19-20,31H,7-8,11-14H2,1H3/t17?,21?,24-;2*19?,22?,24-;16?,20?,23-;16?,19?,23-/m00000/s1.
What are the key properties of bis(N-[4-(4-cyanophenyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-cyclopropyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-pyridin-4-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;4-[4-[ethyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]cyclohexyl]benzamide?
bis(N-[4-(4-cyanophenyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-cyclopropyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-pyridin-4-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;4-[4-[ethyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]cyclohexyl]benzamide has a molecular weight of 2216.48 g/mol, XLogP of 26.14, 26 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-[4-(4-cyanophenyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-cyclopropyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-pyridin-4-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;4-[4-[ethyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]cyclohexyl]benzamide is sourced from PubChem (CID 157415829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).