N-cyclopropyl-N-(4-hydroxy-4-phenylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide

C25H28F3NO3 — CID 25017526

IUPACN-cyclopropyl-N-(4-hydroxy-4-phenylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
SMILESC[C@](O)(c1ccc(C(=O)N(C2CC2)C2CCC(O)(c3ccccc3)CC2)cc1)C(F)(F)F
InChIInChI=1S/C25H28F3NO3/c1-23(31,25(26,27)28)18-9-7-17(8-10-18)22(30)29(20-11-12-20)21-13-15-24(32,16-14-21)19-5-3-2-4-6-19/h2-10,20-21,31-32H,11-16H2,1H3/t21?,23-,24?/m0/s1
InChIKeyBZCSWBLULJWALH-RZMWZJFBSA-N
MW447.50 g/mol
LogP4.89
Rot. Bonds5

About N-cyclopropyl-N-(4-hydroxy-4-phenylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide

N-cyclopropyl-N-(4-hydroxy-4-phenylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide (PubChem CID 25017526) has the molecular formula C25H28F3NO3 and a molecular weight of 447.50 g/mol. Its IUPAC name is N-cyclopropyl-N-(4-hydroxy-4-phenylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(4-hydroxy-4-phenylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
PubChem CID25017526
Molecular FormulaC25H28F3NO3
Molecular Weight447.50 g/mol
Exact Mass447.20
IUPAC NameN-cyclopropyl-N-(4-hydroxy-4-phenylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
SMILESC[C@](O)(c1ccc(C(=O)N(C2CC2)C2CCC(O)(c3ccccc3)CC2)cc1)C(F)(F)F
InChIInChI=1S/C25H28F3NO3/c1-23(31,25(26,27)28)18-9-7-17(8-10-18)22(30)29(20-11-12-20)21-13-15-24(32,16-14-21)19-5-3-2-4-6-19/h2-10,20-21,31-32H,11-16H2,1H3/t21?,23-,24?/m0/s1
InChIKeyBZCSWBLULJWALH-RZMWZJFBSA-N
XLogP4.89
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-cyclopropyl-N-(4-hydroxy-4-phenylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide with MolForge

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Related Compounds

N-[4-(2-cyanoethyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 15987396
N-[4-(2-cyano-2,2-dimethylethyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 15987477
N-[trans-4-(3-Amino-3-Oxopropyl)-4-Phenylcyclohexyl]-N-Cyclopropyl-4-[(1s)-2,2,2-Trifluoro-1-Hydroxy-1-Methylethyl]benzamide
CID 25019309
N-{1-[(1-carbamoylcyclopropyl)methyl]piperidin-4-yl}-N-cyclopropyl-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide
CID 25263223
N-{4-[(1-cyanocyclopropyl)methyl]cyclohexyl}-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 25263220
Cyclohexyl benzamide derivative, 9
CID 15986762
N-[4-(2-carbamoylethyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 15987397
Piperidyl benzamide derivative, 14
CID 23634382
N-cyclopropyl-N-(cis-4-cyclopropyl-4-hydroxycyclohexyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide
CID 24824766
N-[4-(cyanomethyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 25263219
Cyclohexyl benzamide derivative, 12
CID 25263221
Pyrrolidin-1-yl-[4-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethylethyl)phenyl]methanone
CID 10132088

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(4-hydroxy-4-phenylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
The IUPAC name of N-cyclopropyl-N-(4-hydroxy-4-phenylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide (CID 25017526) is N-cyclopropyl-N-(4-hydroxy-4-phenylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-N-(4-hydroxy-4-phenylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
The canonical SMILES for N-cyclopropyl-N-(4-hydroxy-4-phenylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide is C[C@](O)(c1ccc(C(=O)N(C2CC2)C2CCC(O)(c3ccccc3)CC2)cc1)C(F)(F)F.
What is the InChIKey of N-cyclopropyl-N-(4-hydroxy-4-phenylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
The InChIKey is BZCSWBLULJWALH-RZMWZJFBSA-N. The full InChI is InChI=1S/C25H28F3NO3/c1-23(31,25(26,27)28)18-9-7-17(8-10-18)22(30)29(20-11-12-20)21-13-15-24(32,16-14-21)19-5-3-2-4-6-19/h2-10,20-21,31-32H,11-16H2,1H3/t21?,23-,24?/m0/s1.
What are the key properties of N-cyclopropyl-N-(4-hydroxy-4-phenylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
N-cyclopropyl-N-(4-hydroxy-4-phenylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide has a molecular weight of 447.50 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(4-hydroxy-4-phenylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide is sourced from PubChem (CID 25017526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).