N-cyclopropyl-N-(4-propylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;4-[[ethyl-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzoyl]amino]methyl]benzoic acid;[(2R)-2-methylpiperidin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;bis(N-methyl-N-(4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide)

C102H120F15N7O12 — CID 158778342

IUPACN-cyclopropyl-N-(4-propylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;4-[[ethyl-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzoyl]amino]methyl]benzoic acid;[(2R)-2-methylpiperidin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;bis(N-methyl-N-(4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide)
SMILESCCCC1CCC(N(C(=O)c2ccc([C@](C)(O)C(F)(F)F)cc2)C2CC2)CC1.CCN(Cc1ccc(C(=O)O)cc1)C(=O)c1ccc(C(C)(O)C(F)(F)F)cc1.CN(C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1)C1CCC(c2cccnc2)CC1.CN(C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1)C1CCC(c2cccnc2)CC1.C[C@@H]1CCCCN1C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1
InChIInChI=1S/2C22H25F3N2O2.C22H30F3NO2.C20H20F3NO4.C16H20F3NO2/c2*1-21(29,22(23,24)25)18-9-5-16(6-10-18)20(28)27(2)19-11-7-15(8-12-19)17-4-3-13-26-14-17;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;1-3-24(12-13-4-6-15(7-5-13)18(26)27)17(25)14-8-10-16(11-9-14)19(2,28)20(21,22)23;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*3-6,9-10,13-15,19,29H,7-8,11-12H2,1-2H3;7-10,15,18-19,28H,3-6,11-14H2,1-2H3;4-11,28H,3,12H2,1-2H3,(H,26,27);6-9,11,22H,3-5,10H2,1-2H3/t2*15?,19?,21-;15?,18?,21-;;11-,15+/m000.1/s1
InChIKeyIQTIYUSTSUZOJU-UZHUPWRJSA-N
MW1921.09 g/mol
LogP22.01
Rot. Bonds22

About N-cyclopropyl-N-(4-propylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;4-[[ethyl-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzoyl]amino]methyl]benzoic acid;[(2R)-2-methylpiperidin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;bis(N-methyl-N-(4-pyridin-3-ylcyclohexyl)-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;4-[[ethyl-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzoyl]amino]methyl]benzoic acid;[(2R)-2-methylpiperidin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;bis(N-methyl-N-(4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide) (PubChem CID 158778342) has the molecular formula C102H120F15N7O12 and a molecular weight of 1921.09 g/mol. Its IUPAC name is N-cyclopropyl-N-(4-propylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;4-[[ethyl-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzoyl]amino]methyl]benzoic acid;[(2R)-2-methylpiperidin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;bis(N-methyl-N-(4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide).

Molecular Properties

Compound NameN-cyclopropyl-N-(4-propylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;4-[[ethyl-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzoyl]amino]methyl]benzoic acid;[(2R)-2-methylpiperidin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;bis(N-methyl-N-(4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide)
PubChem CID158778342
Molecular FormulaC102H120F15N7O12
Molecular Weight1921.09 g/mol
Exact Mass1919.88
IUPAC NameN-cyclopropyl-N-(4-propylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;4-[[ethyl-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzoyl]amino]methyl]benzoic acid;[(2R)-2-methylpiperidin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;bis(N-methyl-N-(4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide)
SMILESCCCC1CCC(N(C(=O)c2ccc([C@](C)(O)C(F)(F)F)cc2)C2CC2)CC1.CCN(Cc1ccc(C(=O)O)cc1)C(=O)c1ccc(C(C)(O)C(F)(F)F)cc1.CN(C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1)C1CCC(c2cccnc2)CC1.CN(C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1)C1CCC(c2cccnc2)CC1.C[C@@H]1CCCCN1C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1
InChIInChI=1S/2C22H25F3N2O2.C22H30F3NO2.C20H20F3NO4.C16H20F3NO2/c2*1-21(29,22(23,24)25)18-9-5-16(6-10-18)20(28)27(2)19-11-7-15(8-12-19)17-4-3-13-26-14-17;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;1-3-24(12-13-4-6-15(7-5-13)18(26)27)17(25)14-8-10-16(11-9-14)19(2,28)20(21,22)23;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*3-6,9-10,13-15,19,29H,7-8,11-12H2,1-2H3;7-10,15,18-19,28H,3-6,11-14H2,1-2H3;4-11,28H,3,12H2,1-2H3,(H,26,27);6-9,11,22H,3-5,10H2,1-2H3/t2*15?,19?,21-;15?,18?,21-;;11-,15+/m000.1/s1
InChIKeyIQTIYUSTSUZOJU-UZHUPWRJSA-N
XLogP22.01
TPSA265.78 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds22
Heavy Atoms136
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001921.09
LogP ≤ 522.01
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Analyze N-cyclopropyl-N-(4-propylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;4-[[ethyl-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzoyl]amino]methyl]benzoic acid;[(2R)-2-methylpiperidin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;bis(N-methyl-N-(4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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Related Compounds

N-cyclopropyl-N-(trans-4-pyridin-3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide
CID 16726072
N-cyclopropyl-N-((1s,4R)-4-hydroxy-4-(pyridin-3-yl)cyclohexyl)-4-((S)-1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
CID 25018527
N-((1s,4R)-4-cyano-4-(pyridin-3-yl)cyclohexyl)-N-cyclopropyl-4-((S)-1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
CID 25019046
N-cyclopropyl-N-[(1R,3R)-3-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 15986161
N-cyclopropyl-N-[(1S,3S)-3-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 15986162
N-ethyl-N-(4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 15986763
N-methyl-N-(4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 15987036
N-methyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 15987125
N-cyclopropyl-N-(4-fluoro-4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 25016221
N-(4-cyano-4-pyridin-4-ylcyclohexyl)-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 25018279
N-(4-carbamoyl-4-pyridin-3-ylcyclohexyl)-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 25018526
N-cyclopropyl-N-(4-fluoro-4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 25019563

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(4-propylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;4-[[ethyl-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzoyl]amino]methyl]benzoic acid;[(2R)-2-methylpiperidin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;bis(N-methyl-N-(4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide)?
The IUPAC name of N-cyclopropyl-N-(4-propylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;4-[[ethyl-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzoyl]amino]methyl]benzoic acid;[(2R)-2-methylpiperidin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;bis(N-methyl-N-(4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide) (CID 158778342) is N-cyclopropyl-N-(4-propylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;4-[[ethyl-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzoyl]amino]methyl]benzoic acid;[(2R)-2-methylpiperidin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;bis(N-methyl-N-(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-propylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;4-[[ethyl-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzoyl]amino]methyl]benzoic acid;[(2R)-2-methylpiperidin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;bis(N-methyl-N-(4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide)?
The canonical SMILES for N-cyclopropyl-N-(4-propylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;4-[[ethyl-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzoyl]amino]methyl]benzoic acid;[(2R)-2-methylpiperidin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;bis(N-methyl-N-(4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide) is CCCC1CCC(N(C(=O)c2ccc([C@](C)(O)C(F)(F)F)cc2)C2CC2)CC1.CCN(Cc1ccc(C(=O)O)cc1)C(=O)c1ccc(C(C)(O)C(F)(F)F)cc1.CN(C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1)C1CCC(c2cccnc2)CC1.CN(C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1)C1CCC(c2cccnc2)CC1.C[C@@H]1CCCCN1C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1.
What is the InChIKey of N-cyclopropyl-N-(4-propylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;4-[[ethyl-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzoyl]amino]methyl]benzoic acid;[(2R)-2-methylpiperidin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;bis(N-methyl-N-(4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide)?
The InChIKey is IQTIYUSTSUZOJU-UZHUPWRJSA-N. The full InChI is InChI=1S/2C22H25F3N2O2.C22H30F3NO2.C20H20F3NO4.C16H20F3NO2/c2*1-21(29,22(23,24)25)18-9-5-16(6-10-18)20(28)27(2)19-11-7-15(8-12-19)17-4-3-13-26-14-17;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;1-3-24(12-13-4-6-15(7-5-13)18(26)27)17(25)14-8-10-16(11-9-14)19(2,28)20(21,22)23;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*3-6,9-10,13-15,19,29H,7-8,11-12H2,1-2H3;7-10,15,18-19,28H,3-6,11-14H2,1-2H3;4-11,28H,3,12H2,1-2H3,(H,26,27);6-9,11,22H,3-5,10H2,1-2H3/t2*15?,19?,21-;15?,18?,21-;;11-,15+/m000.1/s1.
What are the key properties of N-cyclopropyl-N-(4-propylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;4-[[ethyl-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzoyl]amino]methyl]benzoic acid;[(2R)-2-methylpiperidin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;bis(N-methyl-N-(4-pyridin-3-ylcyclohexyl)-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;4-[[ethyl-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzoyl]amino]methyl]benzoic acid;[(2R)-2-methylpiperidin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;bis(N-methyl-N-(4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide) has a molecular weight of 1921.09 g/mol, XLogP of 22.01, 22 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(4-propylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;4-[[ethyl-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzoyl]amino]methyl]benzoic acid;[(2R)-2-methylpiperidin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;bis(N-methyl-N-(4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide) is sourced from PubChem (CID 158778342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).