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

C24H27F3N2O2 — CID 15986161

IUPACN-cyclopropyl-N-[(1R,3R)-3-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
SMILESC[C@](O)(c1ccc(C(=O)N(C2CC2)[C@@H]2CCC[C@@H](c3ccccn3)C2)cc1)C(F)(F)F
InChIInChI=1S/C24H27F3N2O2/c1-23(31,24(25,26)27)18-10-8-16(9-11-18)22(30)29(19-12-13-19)20-6-4-5-17(15-20)21-7-2-3-14-28-21/h2-3,7-11,14,17,19-20,31H,4-6,12-13,15H2,1H3/t17-,20-,23+/m1/s1
InChIKeyIJOKKJNMOZWSAS-LLBVYWAGSA-N
MW432.49 g/mol
LogP5.18
Rot. Bonds5

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

N-cyclopropyl-N-[(1R,3R)-3-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide (PubChem CID 15986161) has the molecular formula C24H27F3N2O2 and a molecular weight of 432.49 g/mol. Its IUPAC name is N-cyclopropyl-N-[(1R,3R)-3-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(1R,3R)-3-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
PubChem CID15986161
Molecular FormulaC24H27F3N2O2
Molecular Weight432.49 g/mol
Exact Mass432.20
IUPAC NameN-cyclopropyl-N-[(1R,3R)-3-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
SMILESC[C@](O)(c1ccc(C(=O)N(C2CC2)[C@@H]2CCC[C@@H](c3ccccn3)C2)cc1)C(F)(F)F
InChIInChI=1S/C24H27F3N2O2/c1-23(31,24(25,26)27)18-10-8-16(9-11-18)22(30)29(19-12-13-19)20-6-4-5-17(15-20)21-7-2-3-14-28-21/h2-3,7-11,14,17,19-20,31H,4-6,12-13,15H2,1H3/t17-,20-,23+/m1/s1
InChIKeyIJOKKJNMOZWSAS-LLBVYWAGSA-N
XLogP5.18
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.49
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(1R,3R)-3-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
The IUPAC name of N-cyclopropyl-N-[(1R,3R)-3-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide (CID 15986161) is N-cyclopropyl-N-[(1R,3R)-3-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-N-[(1R,3R)-3-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
The canonical SMILES for N-cyclopropyl-N-[(1R,3R)-3-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide is C[C@](O)(c1ccc(C(=O)N(C2CC2)[C@@H]2CCC[C@@H](c3ccccn3)C2)cc1)C(F)(F)F.
What is the InChIKey of N-cyclopropyl-N-[(1R,3R)-3-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
The InChIKey is IJOKKJNMOZWSAS-LLBVYWAGSA-N. The full InChI is InChI=1S/C24H27F3N2O2/c1-23(31,24(25,26)27)18-10-8-16(9-11-18)22(30)29(19-12-13-19)20-6-4-5-17(15-20)21-7-2-3-14-28-21/h2-3,7-11,14,17,19-20,31H,4-6,12-13,15H2,1H3/t17-,20-,23+/m1/s1.
What are the key properties of N-cyclopropyl-N-[(1R,3R)-3-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
N-cyclopropyl-N-[(1R,3R)-3-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide has a molecular weight of 432.49 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(1R,3R)-3-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide is sourced from PubChem (CID 15986161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).