N-[(4-cyanophenyl)methyl]-N-ethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-cyclopropyl-N-[4-[2-(hydroxymethyl)-3-pyridinyl]cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-propylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[(2R,5S)-2,5-dimethyl-4-(4-nitrophenyl)piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2R)-2-methylpiperidin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2S)-2-methylpiperidin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone

C121H142F18N10O15 — CID 158409567

About N-[(4-cyanophenyl)methyl]-N-ethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-cyclopropyl-N-[4-[2-(hydroxymethyl)-3-pyridinyl]cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-propylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[(2R,5S)-2,5-dimethyl-4-(4-nitrophenyl)piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2R)-2-methylpiperidin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2S)-2-methylpiperidin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone

N-[(4-cyanophenyl)methyl]-N-ethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-cyclopropyl-N-[4-[2-(hydroxymethyl)-3-pyridinyl]cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-propylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[(2R,5S)-2,5-dimethyl-4-(4-nitrophenyl)piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2R)-2-methylpiperidin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2S)-2-methylpiperidin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone (PubChem CID 158409567) has the molecular formula C121H142F18N10O15 and a molecular weight of 2318.49 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-N-ethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-cyclopropyl-N-[4-[2-(hydroxymethyl)-3-pyridinyl]cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-propylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[(2R,5S)-2,5-dimethyl-4-(4-nitrophenyl)piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2R)-2-methylpiperidin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2S)-2-methylpiperidin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone.

Molecular Properties

• Compound Name: N-[(4-cyanophenyl)methyl]-N-ethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-cyclopropyl-N-[4-[2-(hydroxymethyl)-3-pyridinyl]cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-propylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[(2R,5S)-2,5-dimethyl-4-(4-nitrophenyl)piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2R)-2-methylpiperidin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2S)-2-methylpiperidin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone
• PubChem CID: 158409567
• Molecular Formula: C121H142F18N10O15
• Molecular Weight: 2318.49 g/mol
• Exact Mass: 2317.04
• IUPAC Name: N-[(4-cyanophenyl)methyl]-N-ethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-cyclopropyl-N-[4-[2-(hydroxymethyl)-3-pyridinyl]cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-propylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[(2R,5S)-2,5-dimethyl-4-(4-nitrophenyl)piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2R)-2-methylpiperidin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2S)-2-methylpiperidin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone
• SMILES: CCCC1CCC(N(C(=O)c2ccc([C@](C)(O)C(F)(F)F)cc2)C2CC2)CC1.CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(C)(O)C(F)(F)F)cc1.C[C@@H]1CCCCN1C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1.C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1.C[C@H]1CCCCN1C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1.C[C@](O)(c1ccc(C(=O)N(C2CCC(c3cccnc3CO)CC2)C2CC2)cc1)C(F)(F)F
• InChI: InChI=1S/C25H29F3N2O3.C22H24F3N3O4.C22H30F3NO2.C20H19F3N2O2.2C16H20F3NO2/c1-24(33,25(26,27)28)18-8-4-17(5-9-18)23(32)30(20-12-13-20)19-10-6-16(7-11-19)21-3-2-14-29-22(21)15-31;1-14-13-27(15(2)12-26(14)18-8-10-19(11-9-18)28(31)32)20(29)16-4-6-17(7-5-16)21(3,30)22(23,24)25;1-3-4-15-5-11-18(12-6-15)26(19-13-14-19)20(27)16-7-9-17(10-8-16)21(2,28)22(23,24)25;1-3-25(13-15-6-4-14(12-24)5-7-15)18(26)16-8-10-17(11-9-16)19(2,27)20(21,22)23;2*1-11-5-3-4-10-20(11)14(21)12-6-8-13(9-7-12)15(2,22)16(17,18)19/h2-5,8-9,14,16,19-20,31,33H,6-7,10-13,15H2,1H3;4-11,14-15,30H,12-13H2,1-3H3;7-10,15,18-19,28H,3-6,11-14H2,1-2H3;4-11,27H,3,13H2,1-2H3;2*6-9,11,22H,3-5,10H2,1-2H3/t16?,19?,24-;14-,15+,21-;15?,18?,21-;;11-,15+;11-,15-/m000.10/s1
• InChIKey: GZCZJHVBLVVDRQ-RMPNLVJYSA-N
• XLogP: 25.13
• TPSA: 346.53 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 18
• Rotatable Bonds: 25
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2318.49
LogP ≤ 5	25.13
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-N-ethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-cyclopropyl-N-[4-[2-(hydroxymethyl)-3-pyridinyl]cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-propylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[(2R,5S)-2,5-dimethyl-4-(4-nitrophenyl)piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2R)-2-methylpiperidin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2S)-2-methylpiperidin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone?

The IUPAC name of N-[(4-cyanophenyl)methyl]-N-ethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-cyclopropyl-N-[4-[2-(hydroxymethyl)-3-pyridinyl]cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-propylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[(2R,5S)-2,5-dimethyl-4-(4-nitrophenyl)piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2R)-2-methylpiperidin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2S)-2-methylpiperidin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone (CID 158409567) is N-[(4-cyanophenyl)methyl]-N-ethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-cyclopropyl-N-[4-[2-(hydroxymethyl)-3-pyridinyl]cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-propylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[(2R,5S)-2,5-dimethyl-4-(4-nitrophenyl)piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2R)-2-methylpiperidin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2S)-2-methylpiperidin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone.

What is the SMILES notation for N-[(4-cyanophenyl)methyl]-N-ethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-cyclopropyl-N-[4-[2-(hydroxymethyl)-3-pyridinyl]cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-propylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[(2R,5S)-2,5-dimethyl-4-(4-nitrophenyl)piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2R)-2-methylpiperidin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2S)-2-methylpiperidin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone?

The canonical SMILES for N-[(4-cyanophenyl)methyl]-N-ethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-cyclopropyl-N-[4-[2-(hydroxymethyl)-3-pyridinyl]cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-propylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[(2R,5S)-2,5-dimethyl-4-(4-nitrophenyl)piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2R)-2-methylpiperidin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2S)-2-methylpiperidin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone is CCCC1CCC(N(C(=O)c2ccc([C@](C)(O)C(F)(F)F)cc2)C2CC2)CC1.CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(C)(O)C(F)(F)F)cc1.C[C@@H]1CCCCN1C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1.C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1.C[C@H]1CCCCN1C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1.C[C@](O)(c1ccc(C(=O)N(C2CCC(c3cccnc3CO)CC2)C2CC2)cc1)C(F)(F)F.

What is the InChIKey of N-[(4-cyanophenyl)methyl]-N-ethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-cyclopropyl-N-[4-[2-(hydroxymethyl)-3-pyridinyl]cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-propylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[(2R,5S)-2,5-dimethyl-4-(4-nitrophenyl)piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2R)-2-methylpiperidin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2S)-2-methylpiperidin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone?

The InChIKey is GZCZJHVBLVVDRQ-RMPNLVJYSA-N. The full InChI is InChI=1S/C25H29F3N2O3.C22H24F3N3O4.C22H30F3NO2.C20H19F3N2O2.2C16H20F3NO2/c1-24(33,25(26,27)28)18-8-4-17(5-9-18)23(32)30(20-12-13-20)19-10-6-16(7-11-19)21-3-2-14-29-22(21)15-31;1-14-13-27(15(2)12-26(14)18-8-10-19(11-9-18)28(31)32)20(29)16-4-6-17(7-5-16)21(3,30)22(23,24)25;1-3-4-15-5-11-18(12-6-15)26(19-13-14-19)20(27)16-7-9-17(10-8-16)21(2,28)22(23,24)25;1-3-25(13-15-6-4-14(12-24)5-7-15)18(26)16-8-10-17(11-9-16)19(2,27)20(21,22)23;2*1-11-5-3-4-10-20(11)14(21)12-6-8-13(9-7-12)15(2,22)16(17,18)19/h2-5,8-9,14,16,19-20,31,33H,6-7,10-13,15H2,1H3;4-11,14-15,30H,12-13H2,1-3H3;7-10,15,18-19,28H,3-6,11-14H2,1-2H3;4-11,27H,3,13H2,1-2H3;2*6-9,11,22H,3-5,10H2,1-2H3/t16?,19?,24-;14-,15+,21-;15?,18?,21-;;11-,15+;11-,15-/m000.10/s1.

What are the key properties of N-[(4-cyanophenyl)methyl]-N-ethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-cyclopropyl-N-[4-[2-(hydroxymethyl)-3-pyridinyl]cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-propylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[(2R,5S)-2,5-dimethyl-4-(4-nitrophenyl)piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2R)-2-methylpiperidin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2S)-2-methylpiperidin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone?

N-[(4-cyanophenyl)methyl]-N-ethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-cyclopropyl-N-[4-[2-(hydroxymethyl)-3-pyridinyl]cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-propylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[(2R,5S)-2,5-dimethyl-4-(4-nitrophenyl)piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2R)-2-methylpiperidin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2S)-2-methylpiperidin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone has a molecular weight of 2318.49 g/mol, XLogP of 25.13, 25 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-cyanophenyl)methyl]-N-ethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-cyclopropyl-N-[4-[2-(hydroxymethyl)-3-pyridinyl]cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-propylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[(2R,5S)-2,5-dimethyl-4-(4-nitrophenyl)piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2R)-2-methylpiperidin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2S)-2-methylpiperidin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone is sourced from PubChem (CID 158409567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).