N-[4-(1-amino-2-methyl-1-oxopropan-2-yl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclohexyl-N-ethyl-4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-morpholin-4-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[(1S,3S)-3-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[(1R,3R)-3-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide

C112H140F15N9O12 — CID 158133012

About N-[4-(1-amino-2-methyl-1-oxopropan-2-yl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclohexyl-N-ethyl-4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-morpholin-4-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[(1S,3S)-3-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[(1R,3R)-3-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide

N-[4-(1-amino-2-methyl-1-oxopropan-2-yl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclohexyl-N-ethyl-4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-morpholin-4-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[(1S,3S)-3-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[(1R,3R)-3-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide (PubChem CID 158133012) has the molecular formula C112H140F15N9O12 and a molecular weight of 2089.37 g/mol. Its IUPAC name is N-[4-(1-amino-2-methyl-1-oxopropan-2-yl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclohexyl-N-ethyl-4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-morpholin-4-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[(1S,3S)-3-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[(1R,3R)-3-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide.

Molecular Properties

• Compound Name: N-[4-(1-amino-2-methyl-1-oxopropan-2-yl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclohexyl-N-ethyl-4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-morpholin-4-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[(1S,3S)-3-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[(1R,3R)-3-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
• PubChem CID: 158133012
• Molecular Formula: C112H140F15N9O12
• Molecular Weight: 2089.37 g/mol
• Exact Mass: 2088.04
• IUPAC Name: N-[4-(1-amino-2-methyl-1-oxopropan-2-yl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclohexyl-N-ethyl-4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-morpholin-4-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[(1S,3S)-3-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[(1R,3R)-3-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
• SMILES: CC(C)(C(N)=O)C1CCC(N(C(=O)c2ccc([C@](C)(O)C(F)(F)F)cc2)C2CC2)CC1.CCN(C(=O)c1ccc([C@@](C)(O)C(F)(F)F)cc1)C1CCCCC1.C[C@](O)(c1ccc(C(=O)N(C2CC2)[C@@H]2CCC[C@@H](c3ccccn3)C2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CC2)[C@H]2CCC[C@H](c3ccccn3)C2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CCC(N3CCOCC3)CC2)C2CC2)cc1)C(F)(F)F
• InChI: InChI=1S/2C24H27F3N2O2.2C23H31F3N2O3.C18H24F3NO2/c2*1-23(31,24(25,26)27)18-10-8-16(9-11-18)22(30)29(19-12-13-19)20-6-4-5-17(15-20)21-7-2-3-14-28-21;1-22(30,23(24,25)26)17-4-2-16(3-5-17)21(29)28(20-10-11-20)19-8-6-18(7-9-19)27-12-14-31-15-13-27;1-21(2,20(27)30)15-8-10-17(11-9-15)28(18-12-13-18)19(29)14-4-6-16(7-5-14)22(3,31)23(24,25)26;1-3-22(15-7-5-4-6-8-15)16(23)13-9-11-14(12-10-13)17(2,24)18(19,20)21/h2*2-3,7-11,14,17,19-20,31H,4-6,12-13,15H2,1H3;2-5,18-20,30H,6-15H2,1H3;4-7,15,17-18,31H,8-13H2,1-3H3,(H2,27,30);9-12,15,24H,3-8H2,1-2H3/t17-,20-,23+;17-,20-,23-;18?,19?,22-;15?,17?,22-;17-/m10001/s1
• InChIKey: FSZXKMZPILMJRA-VLTIGEQGSA-N
• XLogP: 22.45
• TPSA: 284.04 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 25
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2089.37
LogP ≤ 5	22.45
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-amino-2-methyl-1-oxopropan-2-yl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclohexyl-N-ethyl-4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-morpholin-4-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[(1S,3S)-3-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[(1R,3R)-3-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?

The IUPAC name of N-[4-(1-amino-2-methyl-1-oxopropan-2-yl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclohexyl-N-ethyl-4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-morpholin-4-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[(1S,3S)-3-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[(1R,3R)-3-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide (CID 158133012) is N-[4-(1-amino-2-methyl-1-oxopropan-2-yl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclohexyl-N-ethyl-4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-morpholin-4-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[(1S,3S)-3-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[(1R,3R)-3-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide.

What is the SMILES notation for N-[4-(1-amino-2-methyl-1-oxopropan-2-yl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclohexyl-N-ethyl-4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-morpholin-4-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[(1S,3S)-3-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[(1R,3R)-3-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?

The canonical SMILES for N-[4-(1-amino-2-methyl-1-oxopropan-2-yl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclohexyl-N-ethyl-4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-morpholin-4-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[(1S,3S)-3-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[(1R,3R)-3-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide is CC(C)(C(N)=O)C1CCC(N(C(=O)c2ccc([C@](C)(O)C(F)(F)F)cc2)C2CC2)CC1.CCN(C(=O)c1ccc([C@@](C)(O)C(F)(F)F)cc1)C1CCCCC1.C[C@](O)(c1ccc(C(=O)N(C2CC2)[C@@H]2CCC[C@@H](c3ccccn3)C2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CC2)[C@H]2CCC[C@H](c3ccccn3)C2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CCC(N3CCOCC3)CC2)C2CC2)cc1)C(F)(F)F.

What is the InChIKey of N-[4-(1-amino-2-methyl-1-oxopropan-2-yl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclohexyl-N-ethyl-4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-morpholin-4-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[(1S,3S)-3-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[(1R,3R)-3-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?

The InChIKey is FSZXKMZPILMJRA-VLTIGEQGSA-N. The full InChI is InChI=1S/2C24H27F3N2O2.2C23H31F3N2O3.C18H24F3NO2/c2*1-23(31,24(25,26)27)18-10-8-16(9-11-18)22(30)29(19-12-13-19)20-6-4-5-17(15-20)21-7-2-3-14-28-21;1-22(30,23(24,25)26)17-4-2-16(3-5-17)21(29)28(20-10-11-20)19-8-6-18(7-9-19)27-12-14-31-15-13-27;1-21(2,20(27)30)15-8-10-17(11-9-15)28(18-12-13-18)19(29)14-4-6-16(7-5-14)22(3,31)23(24,25)26;1-3-22(15-7-5-4-6-8-15)16(23)13-9-11-14(12-10-13)17(2,24)18(19,20)21/h2*2-3,7-11,14,17,19-20,31H,4-6,12-13,15H2,1H3;2-5,18-20,30H,6-15H2,1H3;4-7,15,17-18,31H,8-13H2,1-3H3,(H2,27,30);9-12,15,24H,3-8H2,1-2H3/t17-,20-,23+;17-,20-,23-;18?,19?,22-;15?,17?,22-;17-/m10001/s1.

What are the key properties of N-[4-(1-amino-2-methyl-1-oxopropan-2-yl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclohexyl-N-ethyl-4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-morpholin-4-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[(1S,3S)-3-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[(1R,3R)-3-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?

N-[4-(1-amino-2-methyl-1-oxopropan-2-yl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclohexyl-N-ethyl-4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-morpholin-4-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[(1S,3S)-3-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[(1R,3R)-3-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide has a molecular weight of 2089.37 g/mol, XLogP of 22.45, 25 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(1-amino-2-methyl-1-oxopropan-2-yl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclohexyl-N-ethyl-4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-morpholin-4-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[(1S,3S)-3-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[(1R,3R)-3-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide is sourced from PubChem (CID 158133012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).