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

C125H134F17N9O10 — CID 158528477

IUPACN-[4-(3-cyanophenyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(3-cyanophenyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(2-cyano-3-pyridinyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-[4-(2-fluorophenyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide)
SMILESCCN(C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1)C1CCC(c2cccc(C#N)c2)CC1.CCN(C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1)C1CCC(c2cccnc2C#N)CC1.C[C@](O)(c1ccc(C(=O)N(C2CCC(c3cccc(C#N)c3)CC2)C2CC2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CCC(c3ccccc3F)CC2)C2CC2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CCC(c3ccccc3F)CC2)C2CC2)cc1)C(F)(F)F
InChIInChI=1S/C26H27F3N2O2.2C25H27F4NO2.C25H27F3N2O2.C24H26F3N3O2/c1-25(33,26(27,28)29)21-9-5-19(6-10-21)24(32)31(23-13-14-23)22-11-7-18(8-12-22)20-4-2-3-17(15-20)16-30;2*1-24(32,25(27,28)29)18-10-6-17(7-11-18)23(31)30(20-14-15-20)19-12-8-16(9-13-19)21-4-2-3-5-22(21)26;1-3-30(22-13-9-18(10-14-22)20-6-4-5-17(15-20)16-29)23(31)19-7-11-21(12-8-19)24(2,32)25(26,27)28;1-3-30(19-12-8-16(9-13-19)20-5-4-14-29-21(20)15-28)22(31)17-6-10-18(11-7-17)23(2,32)24(25,26)27/h2-6,9-10,15,18,22-23,33H,7-8,11-14H2,1H3;2*2-7,10-11,16,19-20,32H,8-9,12-15H2,1H3;4-8,11-12,15,18,22,32H,3,9-10,13-14H2,1-2H3;4-7,10-11,14,16,19,32H,3,8-9,12-13H2,1-2H3/t18?,22?,25-;2*16?,19?,24-;18?,22?,24-;16?,19?,23-/m00000/s1
InChIKeyHNBNKTSQVAVOOP-DPFFUVRDSA-N
MW2245.47 g/mol
LogP27.94
Rot. Bonds25

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

N-[4-(3-cyanophenyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(3-cyanophenyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(2-cyano-3-pyridinyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-[4-(2-fluorophenyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide) (PubChem CID 158528477) has the molecular formula C125H134F17N9O10 and a molecular weight of 2245.47 g/mol. Its IUPAC name is N-[4-(3-cyanophenyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(3-cyanophenyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(2-cyano-3-pyridinyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-[4-(2-fluorophenyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide).

Molecular Properties

Compound NameN-[4-(3-cyanophenyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(3-cyanophenyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(2-cyano-3-pyridinyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-[4-(2-fluorophenyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide)
PubChem CID158528477
Molecular FormulaC125H134F17N9O10
Molecular Weight2245.47 g/mol
Exact Mass2244.00
IUPAC NameN-[4-(3-cyanophenyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(3-cyanophenyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(2-cyano-3-pyridinyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-[4-(2-fluorophenyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide)
SMILESCCN(C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1)C1CCC(c2cccc(C#N)c2)CC1.CCN(C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1)C1CCC(c2cccnc2C#N)CC1.C[C@](O)(c1ccc(C(=O)N(C2CCC(c3cccc(C#N)c3)CC2)C2CC2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CCC(c3ccccc3F)CC2)C2CC2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CCC(c3ccccc3F)CC2)C2CC2)cc1)C(F)(F)F
InChIInChI=1S/C26H27F3N2O2.2C25H27F4NO2.C25H27F3N2O2.C24H26F3N3O2/c1-25(33,26(27,28)29)21-9-5-19(6-10-21)24(32)31(23-13-14-23)22-11-7-18(8-12-22)20-4-2-3-17(15-20)16-30;2*1-24(32,25(27,28)29)18-10-6-17(7-11-18)23(31)30(20-14-15-20)19-12-8-16(9-13-19)21-4-2-3-5-22(21)26;1-3-30(22-13-9-18(10-14-22)20-6-4-5-17(15-20)16-29)23(31)19-7-11-21(12-8-19)24(2,32)25(26,27)28;1-3-30(19-12-8-16(9-13-19)20-5-4-14-29-21(20)15-28)22(31)17-6-10-18(11-7-17)23(2,32)24(25,26)27/h2-6,9-10,15,18,22-23,33H,7-8,11-14H2,1H3;2*2-7,10-11,16,19-20,32H,8-9,12-15H2,1H3;4-8,11-12,15,18,22,32H,3,9-10,13-14H2,1-2H3;4-7,10-11,14,16,19,32H,3,8-9,12-13H2,1-2H3/t18?,22?,25-;2*16?,19?,24-;18?,22?,24-;16?,19?,23-/m00000/s1
InChIKeyHNBNKTSQVAVOOP-DPFFUVRDSA-N
XLogP27.94
TPSA286.96 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds25
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002245.47
LogP ≤ 527.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Analyze N-[4-(3-cyanophenyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(3-cyanophenyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(2-cyano-3-pyridinyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-[4-(2-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.

Launch Full Analysis

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-ethyl-N-(4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 15986763
N-cyclopropyl-N-[4-[2-(hydroxymethyl)pyridin-3-yl]cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 15987031
N-methyl-N-(4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 15987036
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

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyanophenyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(3-cyanophenyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(2-cyano-3-pyridinyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-[4-(2-fluorophenyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide)?
The IUPAC name of N-[4-(3-cyanophenyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(3-cyanophenyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(2-cyano-3-pyridinyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-[4-(2-fluorophenyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide) (CID 158528477) is N-[4-(3-cyanophenyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(3-cyanophenyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(2-cyano-3-pyridinyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-[4-(2-fluorophenyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide).
What is the SMILES notation for N-[4-(3-cyanophenyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(3-cyanophenyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(2-cyano-3-pyridinyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-[4-(2-fluorophenyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide)?
The canonical SMILES for N-[4-(3-cyanophenyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(3-cyanophenyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(2-cyano-3-pyridinyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-[4-(2-fluorophenyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide) is CCN(C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1)C1CCC(c2cccc(C#N)c2)CC1.CCN(C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1)C1CCC(c2cccnc2C#N)CC1.C[C@](O)(c1ccc(C(=O)N(C2CCC(c3cccc(C#N)c3)CC2)C2CC2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CCC(c3ccccc3F)CC2)C2CC2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CCC(c3ccccc3F)CC2)C2CC2)cc1)C(F)(F)F.
What is the InChIKey of N-[4-(3-cyanophenyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(3-cyanophenyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(2-cyano-3-pyridinyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-[4-(2-fluorophenyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide)?
The InChIKey is HNBNKTSQVAVOOP-DPFFUVRDSA-N. The full InChI is InChI=1S/C26H27F3N2O2.2C25H27F4NO2.C25H27F3N2O2.C24H26F3N3O2/c1-25(33,26(27,28)29)21-9-5-19(6-10-21)24(32)31(23-13-14-23)22-11-7-18(8-12-22)20-4-2-3-17(15-20)16-30;2*1-24(32,25(27,28)29)18-10-6-17(7-11-18)23(31)30(20-14-15-20)19-12-8-16(9-13-19)21-4-2-3-5-22(21)26;1-3-30(22-13-9-18(10-14-22)20-6-4-5-17(15-20)16-29)23(31)19-7-11-21(12-8-19)24(2,32)25(26,27)28;1-3-30(19-12-8-16(9-13-19)20-5-4-14-29-21(20)15-28)22(31)17-6-10-18(11-7-17)23(2,32)24(25,26)27/h2-6,9-10,15,18,22-23,33H,7-8,11-14H2,1H3;2*2-7,10-11,16,19-20,32H,8-9,12-15H2,1H3;4-8,11-12,15,18,22,32H,3,9-10,13-14H2,1-2H3;4-7,10-11,14,16,19,32H,3,8-9,12-13H2,1-2H3/t18?,22?,25-;2*16?,19?,24-;18?,22?,24-;16?,19?,23-/m00000/s1.
What are the key properties of N-[4-(3-cyanophenyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(3-cyanophenyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(2-cyano-3-pyridinyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-[4-(2-fluorophenyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide)?
N-[4-(3-cyanophenyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(3-cyanophenyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(2-cyano-3-pyridinyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-[4-(2-fluorophenyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide) has a molecular weight of 2245.47 g/mol, XLogP of 27.94, 25 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-cyanophenyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(3-cyanophenyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(2-cyano-3-pyridinyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-[4-(2-fluorophenyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide) is sourced from PubChem (CID 158528477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).