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

C124H133F16N13O11 — CID 157255626

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

N-[4-(4-cyanophenyl)cyclohexyl]-N-(2-methoxyethyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-[4-(2-cyano-4-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-[4-(6-cyano-3-pyridinyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[4-(3-fluoro-4-pyridinyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide (PubChem CID 157255626) has the molecular formula C124H133F16N13O11 and a molecular weight of 2285.48 g/mol. Its IUPAC name is N-[4-(4-cyanophenyl)cyclohexyl]-N-(2-methoxyethyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-[4-(2-cyano-4-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-[4-(6-cyano-3-pyridinyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[4-(3-fluoro-4-pyridinyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide.

Molecular Properties

• Compound Name: N-[4-(4-cyanophenyl)cyclohexyl]-N-(2-methoxyethyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-[4-(2-cyano-4-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-[4-(6-cyano-3-pyridinyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[4-(3-fluoro-4-pyridinyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
• PubChem CID: 157255626
• Molecular Formula: C124H133F16N13O11
• Molecular Weight: 2285.48 g/mol
• Exact Mass: 2284.00
• IUPAC Name: N-[4-(4-cyanophenyl)cyclohexyl]-N-(2-methoxyethyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-[4-(2-cyano-4-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-[4-(6-cyano-3-pyridinyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[4-(3-fluoro-4-pyridinyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
• SMILES: CCN(C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1)C1CCC(c2ccc(C#N)nc2)CC1.COCCN(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(c3ccnc(C#N)c3)CC2)C2CC2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CCC(c3ccnc(C#N)c3)CC2)C2CC2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CCC(c3ccncc3F)CC2)C2CC2)cc1)C(F)(F)F
• InChI: InChI=1S/C26H29F3N2O3.2C25H26F3N3O2.C24H26F4N2O2.C24H26F3N3O2/c1-25(33,26(27,28)29)22-11-7-21(8-12-22)24(32)31(15-16-34-2)23-13-9-20(10-14-23)19-5-3-18(17-30)4-6-19;2*1-24(33,25(26,27)28)19-6-2-17(3-7-19)23(32)31(22-10-11-22)21-8-4-16(5-9-21)18-12-13-30-20(14-18)15-29;1-23(32,24(26,27)28)17-6-2-16(3-7-17)22(31)30(19-10-11-19)18-8-4-15(5-9-18)20-12-13-29-14-21(20)25;1-3-30(21-12-7-16(8-13-21)18-6-11-20(14-28)29-15-18)22(31)17-4-9-19(10-5-17)23(2,32)24(25,26)27/h3-8,11-12,20,23,33H,9-10,13-16H2,1-2H3;2*2-3,6-7,12-14,16,21-22,33H,4-5,8-11H2,1H3;2-3,6-7,12-15,18-19,32H,4-5,8-11H2,1H3;4-6,9-11,15-16,21,32H,3,7-8,12-13H2,1-2H3/t20?,23?,25-;2*16?,21?,24-;15?,18?,23-;16?,21?,23-/m00000/s1
• InChIKey: AWVYSAFCBLRIAW-TXKSXJDQSA-N
• XLogP: 25.48
• TPSA: 358.65 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 27
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2285.48
LogP ≤ 5	25.48
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyanophenyl)cyclohexyl]-N-(2-methoxyethyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-[4-(2-cyano-4-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-[4-(6-cyano-3-pyridinyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[4-(3-fluoro-4-pyridinyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?

The IUPAC name of N-[4-(4-cyanophenyl)cyclohexyl]-N-(2-methoxyethyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-[4-(2-cyano-4-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-[4-(6-cyano-3-pyridinyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[4-(3-fluoro-4-pyridinyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide (CID 157255626) is N-[4-(4-cyanophenyl)cyclohexyl]-N-(2-methoxyethyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-[4-(2-cyano-4-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-[4-(6-cyano-3-pyridinyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[4-(3-fluoro-4-pyridinyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide.

What is the SMILES notation for N-[4-(4-cyanophenyl)cyclohexyl]-N-(2-methoxyethyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-[4-(2-cyano-4-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-[4-(6-cyano-3-pyridinyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[4-(3-fluoro-4-pyridinyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?

The canonical SMILES for N-[4-(4-cyanophenyl)cyclohexyl]-N-(2-methoxyethyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-[4-(2-cyano-4-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-[4-(6-cyano-3-pyridinyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[4-(3-fluoro-4-pyridinyl)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(c2ccc(C#N)nc2)CC1.COCCN(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(c3ccnc(C#N)c3)CC2)C2CC2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CCC(c3ccnc(C#N)c3)CC2)C2CC2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CCC(c3ccncc3F)CC2)C2CC2)cc1)C(F)(F)F.

What is the InChIKey of N-[4-(4-cyanophenyl)cyclohexyl]-N-(2-methoxyethyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-[4-(2-cyano-4-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-[4-(6-cyano-3-pyridinyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[4-(3-fluoro-4-pyridinyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?

The InChIKey is AWVYSAFCBLRIAW-TXKSXJDQSA-N. The full InChI is InChI=1S/C26H29F3N2O3.2C25H26F3N3O2.C24H26F4N2O2.C24H26F3N3O2/c1-25(33,26(27,28)29)22-11-7-21(8-12-22)24(32)31(15-16-34-2)23-13-9-20(10-14-23)19-5-3-18(17-30)4-6-19;2*1-24(33,25(26,27)28)19-6-2-17(3-7-19)23(32)31(22-10-11-22)21-8-4-16(5-9-21)18-12-13-30-20(14-18)15-29;1-23(32,24(26,27)28)17-6-2-16(3-7-17)22(31)30(19-10-11-19)18-8-4-15(5-9-18)20-12-13-29-14-21(20)25;1-3-30(21-12-7-16(8-13-21)18-6-11-20(14-28)29-15-18)22(31)17-4-9-19(10-5-17)23(2,32)24(25,26)27/h3-8,11-12,20,23,33H,9-10,13-16H2,1-2H3;2*2-3,6-7,12-14,16,21-22,33H,4-5,8-11H2,1H3;2-3,6-7,12-15,18-19,32H,4-5,8-11H2,1H3;4-6,9-11,15-16,21,32H,3,7-8,12-13H2,1-2H3/t20?,23?,25-;2*16?,21?,24-;15?,18?,23-;16?,21?,23-/m00000/s1.

What are the key properties of N-[4-(4-cyanophenyl)cyclohexyl]-N-(2-methoxyethyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-[4-(2-cyano-4-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-[4-(6-cyano-3-pyridinyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[4-(3-fluoro-4-pyridinyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?

N-[4-(4-cyanophenyl)cyclohexyl]-N-(2-methoxyethyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-[4-(2-cyano-4-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-[4-(6-cyano-3-pyridinyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[4-(3-fluoro-4-pyridinyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide has a molecular weight of 2285.48 g/mol, XLogP of 25.48, 27 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-cyanophenyl)cyclohexyl]-N-(2-methoxyethyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-[4-(2-cyano-4-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-[4-(6-cyano-3-pyridinyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[4-(3-fluoro-4-pyridinyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide is sourced from PubChem (CID 157255626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).