N-cyclopropyl-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide

C24H27F3N2O3 — CID 25018527

IUPACN-cyclopropyl-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
SMILESC[C@](O)(c1ccc(C(=O)N(C2CC2)C2CCC(O)(c3cccnc3)CC2)cc1)C(F)(F)F
InChIInChI=1S/C24H27F3N2O3/c1-22(31,24(25,26)27)17-6-4-16(5-7-17)21(30)29(19-8-9-19)20-10-12-23(32,13-11-20)18-3-2-14-28-15-18/h2-7,14-15,19-20,31-32H,8-13H2,1H3/t20?,22-,23?/m0/s1
InChIKeyWOQCMDAHCIEHJL-APKLWFBNSA-N
MW448.49 g/mol
LogP4.29
Rot. Bonds5

About N-cyclopropyl-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide

N-cyclopropyl-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide (PubChem CID 25018527) has the molecular formula C24H27F3N2O3 and a molecular weight of 448.49 g/mol. Its IUPAC name is N-cyclopropyl-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
PubChem CID25018527
Molecular FormulaC24H27F3N2O3
Molecular Weight448.49 g/mol
Exact Mass448.20
IUPAC NameN-cyclopropyl-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
SMILESC[C@](O)(c1ccc(C(=O)N(C2CC2)C2CCC(O)(c3cccnc3)CC2)cc1)C(F)(F)F
InChIInChI=1S/C24H27F3N2O3/c1-22(31,24(25,26)27)17-6-4-16(5-7-17)21(30)29(19-8-9-19)20-10-12-23(32,13-11-20)18-3-2-14-28-15-18/h2-7,14-15,19-20,31-32H,8-13H2,1H3/t20?,22-,23?/m0/s1
InChIKeyWOQCMDAHCIEHJL-APKLWFBNSA-N
XLogP4.29
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
The IUPAC name of N-cyclopropyl-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide (CID 25018527) is N-cyclopropyl-N-(4-hydroxy-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-hydroxy-4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
The canonical SMILES for N-cyclopropyl-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide is C[C@](O)(c1ccc(C(=O)N(C2CC2)C2CCC(O)(c3cccnc3)CC2)cc1)C(F)(F)F.
What is the InChIKey of N-cyclopropyl-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
The InChIKey is WOQCMDAHCIEHJL-APKLWFBNSA-N. The full InChI is InChI=1S/C24H27F3N2O3/c1-22(31,24(25,26)27)17-6-4-16(5-7-17)21(30)29(19-8-9-19)20-10-12-23(32,13-11-20)18-3-2-14-28-15-18/h2-7,14-15,19-20,31-32H,8-13H2,1H3/t20?,22-,23?/m0/s1.
What are the key properties of N-cyclopropyl-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
N-cyclopropyl-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide has a molecular weight of 448.49 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide is sourced from PubChem (CID 25018527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).