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

C122H130F19N9O10 — CID 157281899

About N-[4-(3-cyanophenyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[(1R)-4-(3-fluoro-2-pyridinyl)cyclohex-3-en-1-yl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-[4-(3-fluoro-2-pyridinyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-ethyl-N-[4-(4-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-cyclopropyl-N-[(1R)-4-(3-fluoro-2-pyridinyl)cyclohex-3-en-1-yl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-[4-(3-fluoro-2-pyridinyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-ethyl-N-[4-(4-fluorophenyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide (PubChem CID 157281899) has the molecular formula C122H130F19N9O10 and a molecular weight of 2243.40 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-cyclopropyl-N-[(1R)-4-(3-fluoro-2-pyridinyl)cyclohex-3-en-1-yl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-[4-(3-fluoro-2-pyridinyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-ethyl-N-[4-(4-fluorophenyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide.

Molecular Properties

• Compound Name: N-[4-(3-cyanophenyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[(1R)-4-(3-fluoro-2-pyridinyl)cyclohex-3-en-1-yl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-[4-(3-fluoro-2-pyridinyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-ethyl-N-[4-(4-fluorophenyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
• PubChem CID: 157281899
• Molecular Formula: C122H130F19N9O10
• Molecular Weight: 2243.40 g/mol
• Exact Mass: 2241.96
• IUPAC Name: N-[4-(3-cyanophenyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[(1R)-4-(3-fluoro-2-pyridinyl)cyclohex-3-en-1-yl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-[4-(3-fluoro-2-pyridinyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-ethyl-N-[4-(4-fluorophenyl)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(F)cc2)CC1.C[C@](O)(c1ccc(C(=O)N(C2CC2)[C@H]2CC=C(c3ncccc3F)CC2)cc1)C(F)(F)F.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(c3ncccc3F)CC2)C2CC2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CCC(c3ncccc3F)CC2)C2CC2)cc1)C(F)(F)F
• InChI: InChI=1S/C26H27F3N2O2.2C24H26F4N2O2.C24H24F4N2O2.C24H27F4NO2/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;3*1-23(32,24(26,27)28)17-8-4-16(5-9-17)22(31)30(19-12-13-19)18-10-6-15(7-11-18)21-20(25)3-2-14-29-21;1-3-29(21-14-8-17(9-15-21)16-6-12-20(25)13-7-16)22(30)18-4-10-19(11-5-18)23(2,31)24(26,27)28/h2-6,9-10,15,18,22-23,33H,7-8,11-14H2,1H3;2*2-5,8-9,14-15,18-19,32H,6-7,10-13H2,1H3;2-6,8-9,14,18-19,32H,7,10-13H2,1H3;4-7,10-13,17,21,31H,3,8-9,14-15H2,1-2H3/t18?,22?,25-;2*15?,18?,23-;18-,23-;17?,21?,23-/m00000/s1
• InChIKey: AZTLANYMLIMBNP-OXGKSHATSA-N
• XLogP: 27.32
• TPSA: 265.16 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 25
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2243.40
LogP ≤ 5	27.32
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

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-cyclopropyl-N-[(1R)-4-(3-fluoro-2-pyridinyl)cyclohex-3-en-1-yl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-[4-(3-fluoro-2-pyridinyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-ethyl-N-[4-(4-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-cyclopropyl-N-[(1R)-4-(3-fluoro-2-pyridinyl)cyclohex-3-en-1-yl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-[4-(3-fluoro-2-pyridinyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-ethyl-N-[4-(4-fluorophenyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide (CID 157281899) is N-[4-(3-cyanophenyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[(1R)-4-(3-fluoro-2-pyridinyl)cyclohex-3-en-1-yl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-[4-(3-fluoro-2-pyridinyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-ethyl-N-[4-(4-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-cyclopropyl-N-[(1R)-4-(3-fluoro-2-pyridinyl)cyclohex-3-en-1-yl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-[4-(3-fluoro-2-pyridinyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-ethyl-N-[4-(4-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-cyclopropyl-N-[(1R)-4-(3-fluoro-2-pyridinyl)cyclohex-3-en-1-yl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-[4-(3-fluoro-2-pyridinyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-ethyl-N-[4-(4-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(c2ccc(F)cc2)CC1.C[C@](O)(c1ccc(C(=O)N(C2CC2)[C@H]2CC=C(c3ncccc3F)CC2)cc1)C(F)(F)F.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(c3ncccc3F)CC2)C2CC2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CCC(c3ncccc3F)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-cyclopropyl-N-[(1R)-4-(3-fluoro-2-pyridinyl)cyclohex-3-en-1-yl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-[4-(3-fluoro-2-pyridinyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-ethyl-N-[4-(4-fluorophenyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?

The InChIKey is AZTLANYMLIMBNP-OXGKSHATSA-N. The full InChI is InChI=1S/C26H27F3N2O2.2C24H26F4N2O2.C24H24F4N2O2.C24H27F4NO2/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;3*1-23(32,24(26,27)28)17-8-4-16(5-9-17)22(31)30(19-12-13-19)18-10-6-15(7-11-18)21-20(25)3-2-14-29-21;1-3-29(21-14-8-17(9-15-21)16-6-12-20(25)13-7-16)22(30)18-4-10-19(11-5-18)23(2,31)24(26,27)28/h2-6,9-10,15,18,22-23,33H,7-8,11-14H2,1H3;2*2-5,8-9,14-15,18-19,32H,6-7,10-13H2,1H3;2-6,8-9,14,18-19,32H,7,10-13H2,1H3;4-7,10-13,17,21,31H,3,8-9,14-15H2,1-2H3/t18?,22?,25-;2*15?,18?,23-;18-,23-;17?,21?,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-cyclopropyl-N-[(1R)-4-(3-fluoro-2-pyridinyl)cyclohex-3-en-1-yl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-[4-(3-fluoro-2-pyridinyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-ethyl-N-[4-(4-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-cyclopropyl-N-[(1R)-4-(3-fluoro-2-pyridinyl)cyclohex-3-en-1-yl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-[4-(3-fluoro-2-pyridinyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-ethyl-N-[4-(4-fluorophenyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide has a molecular weight of 2243.40 g/mol, XLogP of 27.32, 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-cyclopropyl-N-[(1R)-4-(3-fluoro-2-pyridinyl)cyclohex-3-en-1-yl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-[4-(3-fluoro-2-pyridinyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-ethyl-N-[4-(4-fluorophenyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide is sourced from PubChem (CID 157281899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).