N-cyclopropyl-N-[4-(2-fluorophenyl)-4-(hydroxymethyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-fluoro-4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-[4-(hydroxymethyl)-4-pyridin-3-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide)

C100H113F14N7O11 — CID 160964564

About N-cyclopropyl-N-[4-(2-fluorophenyl)-4-(hydroxymethyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-fluoro-4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-[4-(hydroxymethyl)-4-pyridin-3-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide)

N-cyclopropyl-N-[4-(2-fluorophenyl)-4-(hydroxymethyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-fluoro-4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-[4-(hydroxymethyl)-4-pyridin-3-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide) (PubChem CID 160964564) has the molecular formula C100H113F14N7O11 and a molecular weight of 1855.01 g/mol. Its IUPAC name is N-cyclopropyl-N-[4-(2-fluorophenyl)-4-(hydroxymethyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-fluoro-4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-[4-(hydroxymethyl)-4-pyridin-3-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide).

Molecular Properties

• Compound Name: N-cyclopropyl-N-[4-(2-fluorophenyl)-4-(hydroxymethyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-fluoro-4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-[4-(hydroxymethyl)-4-pyridin-3-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide)
• PubChem CID: 160964564
• Molecular Formula: C100H113F14N7O11
• Molecular Weight: 1855.01 g/mol
• Exact Mass: 1853.83
• IUPAC Name: N-cyclopropyl-N-[4-(2-fluorophenyl)-4-(hydroxymethyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-fluoro-4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-[4-(hydroxymethyl)-4-pyridin-3-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide)
• SMILES: C[C@](O)(c1ccc(C(=O)N(C2CC2)C2CCC(CO)(c3ccccc3F)CC2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CC2)C2CCC(CO)(c3cccnc3)CC2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CC2)C2CCC(CO)(c3cccnc3)CC2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CC2)C2CCC(F)(c3ccccn3)CC2)cc1)C(F)(F)F
• InChI: InChI=1S/C26H29F4NO3.2C25H29F3N2O3.C24H26F4N2O2/c1-24(34,26(28,29)30)18-8-6-17(7-9-18)23(33)31(19-10-11-19)20-12-14-25(16-32,15-13-20)21-4-2-3-5-22(21)27;2*1-23(33,25(26,27)28)18-6-4-17(5-7-18)22(32)30(20-8-9-20)21-10-12-24(16-31,13-11-21)19-3-2-14-29-15-19;1-22(32,24(26,27)28)17-7-5-16(6-8-17)21(31)30(18-9-10-18)19-11-13-23(25,14-12-19)20-4-2-3-15-29-20/h2-9,19-20,32,34H,10-16H2,1H3;2*2-7,14-15,20-21,31,33H,8-13,16H2,1H3;2-8,15,18-19,32H,9-14H2,1H3/t20?,24-,25?;2*21?,23-,24?;19?,22-,23?/m0000/s1
• InChIKey: SXLFTSJRAPQUQJ-QBZMZYTFSA-N
• XLogP: 18.99
• TPSA: 261.52 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 14
• Rotatable Bonds: 23
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1855.01
LogP ≤ 5	18.99
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[4-(2-fluorophenyl)-4-(hydroxymethyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-fluoro-4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-[4-(hydroxymethyl)-4-pyridin-3-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide)?

The IUPAC name of N-cyclopropyl-N-[4-(2-fluorophenyl)-4-(hydroxymethyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-fluoro-4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-[4-(hydroxymethyl)-4-pyridin-3-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide) (CID 160964564) is N-cyclopropyl-N-[4-(2-fluorophenyl)-4-(hydroxymethyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-fluoro-4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-[4-(hydroxymethyl)-4-pyridin-3-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide).

What is the SMILES notation for N-cyclopropyl-N-[4-(2-fluorophenyl)-4-(hydroxymethyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-fluoro-4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-[4-(hydroxymethyl)-4-pyridin-3-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide)?

The canonical SMILES for N-cyclopropyl-N-[4-(2-fluorophenyl)-4-(hydroxymethyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-fluoro-4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-[4-(hydroxymethyl)-4-pyridin-3-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide) is C[C@](O)(c1ccc(C(=O)N(C2CC2)C2CCC(CO)(c3ccccc3F)CC2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CC2)C2CCC(CO)(c3cccnc3)CC2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CC2)C2CCC(CO)(c3cccnc3)CC2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CC2)C2CCC(F)(c3ccccn3)CC2)cc1)C(F)(F)F.

What is the InChIKey of N-cyclopropyl-N-[4-(2-fluorophenyl)-4-(hydroxymethyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-fluoro-4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-[4-(hydroxymethyl)-4-pyridin-3-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide)?

The InChIKey is SXLFTSJRAPQUQJ-QBZMZYTFSA-N. The full InChI is InChI=1S/C26H29F4NO3.2C25H29F3N2O3.C24H26F4N2O2/c1-24(34,26(28,29)30)18-8-6-17(7-9-18)23(33)31(19-10-11-19)20-12-14-25(16-32,15-13-20)21-4-2-3-5-22(21)27;2*1-23(33,25(26,27)28)18-6-4-17(5-7-18)22(32)30(20-8-9-20)21-10-12-24(16-31,13-11-21)19-3-2-14-29-15-19;1-22(32,24(26,27)28)17-7-5-16(6-8-17)21(31)30(18-9-10-18)19-11-13-23(25,14-12-19)20-4-2-3-15-29-20/h2-9,19-20,32,34H,10-16H2,1H3;2*2-7,14-15,20-21,31,33H,8-13,16H2,1H3;2-8,15,18-19,32H,9-14H2,1H3/t20?,24-,25?;2*21?,23-,24?;19?,22-,23?/m0000/s1.

What are the key properties of N-cyclopropyl-N-[4-(2-fluorophenyl)-4-(hydroxymethyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-fluoro-4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-[4-(hydroxymethyl)-4-pyridin-3-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide)?

N-cyclopropyl-N-[4-(2-fluorophenyl)-4-(hydroxymethyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-fluoro-4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-[4-(hydroxymethyl)-4-pyridin-3-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide) has a molecular weight of 1855.01 g/mol, XLogP of 18.99, 23 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-N-[4-(2-fluorophenyl)-4-(hydroxymethyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-fluoro-4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-[4-(hydroxymethyl)-4-pyridin-3-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide) is sourced from PubChem (CID 160964564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).