N-[4-(2-cyanophenyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[(1S,2S,4R)-4-(4-cyanophenyl)-2-methylcyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-ethyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-methyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide

C121H135F15N10O10 — CID 157125857

IUPACN-[4-(2-cyanophenyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[(1S,2S,4R)-4-(4-cyanophenyl)-2-methylcyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-ethyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-methyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
SMILESCCN(C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1)C1CCC(c2ccccn2)CC1.CCN(C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1)C1CCC(c2ccccn2)CC1.CN(C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1)C1CCC(c2ccccn2)CC1.C[C@H]1C[C@H](c2ccc(C#N)cc2)CC[C@@H]1N(C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1)C1CC1.C[C@](O)(c1ccc(C(=O)N(C2CCC(c3ccccc3C#N)CC2)C2CC2)cc1)C(F)(F)F
InChIInChI=1S/C27H29F3N2O2.C26H27F3N2O2.2C23H27F3N2O2.C22H25F3N2O2/c1-17-15-21(19-5-3-18(16-31)4-6-19)9-14-24(17)32(23-12-13-23)25(33)20-7-10-22(11-8-20)26(2,34)27(28,29)30;1-25(33,26(27,28)29)20-10-6-18(7-11-20)24(32)31(22-14-15-22)21-12-8-17(9-13-21)23-5-3-2-4-19(23)16-30;2*1-3-28(19-13-9-16(10-14-19)20-6-4-5-15-27-20)21(29)17-7-11-18(12-8-17)22(2,30)23(24,25)26;1-21(29,22(23,24)25)17-10-6-16(7-11-17)20(28)27(2)18-12-8-15(9-13-18)19-5-3-4-14-26-19/h3-8,10-11,17,21,23-24,34H,9,12-15H2,1-2H3;2-7,10-11,17,21-22,33H,8-9,12-15H2,1H3;2*4-8,11-12,15-16,19,30H,3,9-10,13-14H2,1-2H3;3-7,10-11,14-15,18,29H,8-9,12-13H2,1-2H3/t17-,21+,24-,26-;17?,21?,25-;2*16?,19?,22-;15?,18?,21-/m00000/s1
InChIKeyAIMONSAFXIAXKT-KBFXNRGQSA-N
MW2174.44 g/mol
LogP26.29
Rot. Bonds24

About N-[4-(2-cyanophenyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[(1S,2S,4R)-4-(4-cyanophenyl)-2-methylcyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-ethyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-methyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide

N-[4-(2-cyanophenyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[(1S,2S,4R)-4-(4-cyanophenyl)-2-methylcyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-ethyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-methyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide (PubChem CID 157125857) has the molecular formula C121H135F15N10O10 and a molecular weight of 2174.44 g/mol. Its IUPAC name is N-[4-(2-cyanophenyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[(1S,2S,4R)-4-(4-cyanophenyl)-2-methylcyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-ethyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-methyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-(2-cyanophenyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[(1S,2S,4R)-4-(4-cyanophenyl)-2-methylcyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-ethyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-methyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
PubChem CID157125857
Molecular FormulaC121H135F15N10O10
Molecular Weight2174.44 g/mol
Exact Mass2173.01
IUPAC NameN-[4-(2-cyanophenyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[(1S,2S,4R)-4-(4-cyanophenyl)-2-methylcyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-ethyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-methyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
SMILESCCN(C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1)C1CCC(c2ccccn2)CC1.CCN(C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1)C1CCC(c2ccccn2)CC1.CN(C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1)C1CCC(c2ccccn2)CC1.C[C@H]1C[C@H](c2ccc(C#N)cc2)CC[C@@H]1N(C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1)C1CC1.C[C@](O)(c1ccc(C(=O)N(C2CCC(c3ccccc3C#N)CC2)C2CC2)cc1)C(F)(F)F
InChIInChI=1S/C27H29F3N2O2.C26H27F3N2O2.2C23H27F3N2O2.C22H25F3N2O2/c1-17-15-21(19-5-3-18(16-31)4-6-19)9-14-24(17)32(23-12-13-23)25(33)20-7-10-22(11-8-20)26(2,34)27(28,29)30;1-25(33,26(27,28)29)20-10-6-18(7-11-20)24(32)31(22-14-15-22)21-12-8-17(9-13-21)23-5-3-2-4-19(23)16-30;2*1-3-28(19-13-9-16(10-14-19)20-6-4-5-15-27-20)21(29)17-7-11-18(12-8-17)22(2,30)23(24,25)26;1-21(29,22(23,24)25)17-10-6-16(7-11-17)20(28)27(2)18-12-8-15(9-13-18)19-5-3-4-14-26-19/h3-8,10-11,17,21,23-24,34H,9,12-15H2,1-2H3;2-7,10-11,17,21-22,33H,8-9,12-15H2,1H3;2*4-8,11-12,15-16,19,30H,3,9-10,13-14H2,1-2H3;3-7,10-11,14-15,18,29H,8-9,12-13H2,1-2H3/t17-,21+,24-,26-;17?,21?,25-;2*16?,19?,22-;15?,18?,21-/m00000/s1
InChIKeyAIMONSAFXIAXKT-KBFXNRGQSA-N
XLogP26.29
TPSA288.95 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds24
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002174.44
LogP ≤ 526.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Analyze N-[4-(2-cyanophenyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[(1S,2S,4R)-4-(4-cyanophenyl)-2-methylcyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-ethyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-methyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide with MolForge

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Related Compounds

N-(4-cyano-4-pyridin-2-ylcyclohexyl)-N-cyclopropyl-4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 70681309
N-[4-(cyanomethyl)-4-pyridin-2-ylcyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 25015964
N-(4-cyano-4-pyridin-2-ylcyclohexyl)-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 25018525
N-[4-cyano-4-(5-fluoropyridin-2-yl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 44564767
N-[4-(6-cyanopyridin-3-yl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 57892525
N-[4-(2-cyanopyridin-4-yl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 57892528
N-[4-(2-cyanopyridin-3-yl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 57892544
N-[4-(2-cyanopyridin-3-yl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 57892555
N-[4-(6-cyanopyridin-3-yl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 57892581
N-[4-(6-cyano-3-pyridinyl)cyclohexyl]-N-ethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
CID 68561478
[4-(cyclopropylamino)-1-(5-fluoro-2-pyridinyl)cyclohexyl]methanol;N-cyclopropyl-4-(5-fluoro-2-pyridinyl)-4-methylcyclohexan-1-amine;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-(5-fluoro-2-pyridinyl)cyclohexyl]methyl carbamate
CID 91374168
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

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-cyanophenyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[(1S,2S,4R)-4-(4-cyanophenyl)-2-methylcyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-ethyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-methyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
The IUPAC name of N-[4-(2-cyanophenyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[(1S,2S,4R)-4-(4-cyanophenyl)-2-methylcyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-ethyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-methyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide (CID 157125857) is N-[4-(2-cyanophenyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[(1S,2S,4R)-4-(4-cyanophenyl)-2-methylcyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-ethyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-methyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide.
What is the SMILES notation for N-[4-(2-cyanophenyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[(1S,2S,4R)-4-(4-cyanophenyl)-2-methylcyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-ethyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-methyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
The canonical SMILES for N-[4-(2-cyanophenyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[(1S,2S,4R)-4-(4-cyanophenyl)-2-methylcyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-ethyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-methyl-N-(4-pyridin-2-ylcyclohexyl)-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(c2ccccn2)CC1.CCN(C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1)C1CCC(c2ccccn2)CC1.CN(C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1)C1CCC(c2ccccn2)CC1.C[C@H]1C[C@H](c2ccc(C#N)cc2)CC[C@@H]1N(C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1)C1CC1.C[C@](O)(c1ccc(C(=O)N(C2CCC(c3ccccc3C#N)CC2)C2CC2)cc1)C(F)(F)F.
What is the InChIKey of N-[4-(2-cyanophenyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[(1S,2S,4R)-4-(4-cyanophenyl)-2-methylcyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-ethyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-methyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
The InChIKey is AIMONSAFXIAXKT-KBFXNRGQSA-N. The full InChI is InChI=1S/C27H29F3N2O2.C26H27F3N2O2.2C23H27F3N2O2.C22H25F3N2O2/c1-17-15-21(19-5-3-18(16-31)4-6-19)9-14-24(17)32(23-12-13-23)25(33)20-7-10-22(11-8-20)26(2,34)27(28,29)30;1-25(33,26(27,28)29)20-10-6-18(7-11-20)24(32)31(22-14-15-22)21-12-8-17(9-13-21)23-5-3-2-4-19(23)16-30;2*1-3-28(19-13-9-16(10-14-19)20-6-4-5-15-27-20)21(29)17-7-11-18(12-8-17)22(2,30)23(24,25)26;1-21(29,22(23,24)25)17-10-6-16(7-11-17)20(28)27(2)18-12-8-15(9-13-18)19-5-3-4-14-26-19/h3-8,10-11,17,21,23-24,34H,9,12-15H2,1-2H3;2-7,10-11,17,21-22,33H,8-9,12-15H2,1H3;2*4-8,11-12,15-16,19,30H,3,9-10,13-14H2,1-2H3;3-7,10-11,14-15,18,29H,8-9,12-13H2,1-2H3/t17-,21+,24-,26-;17?,21?,25-;2*16?,19?,22-;15?,18?,21-/m00000/s1.
What are the key properties of N-[4-(2-cyanophenyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[(1S,2S,4R)-4-(4-cyanophenyl)-2-methylcyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-ethyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-methyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
N-[4-(2-cyanophenyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[(1S,2S,4R)-4-(4-cyanophenyl)-2-methylcyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-ethyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-methyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide has a molecular weight of 2174.44 g/mol, XLogP of 26.29, 24 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-cyanophenyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[(1S,2S,4R)-4-(4-cyanophenyl)-2-methylcyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-ethyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-methyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide is sourced from PubChem (CID 157125857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).