N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-2-(trifluoromethyl)benzamide

C24H27F3N2O2 — CID 24965766

IUPACN-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-2-(trifluoromethyl)benzamide
SMILESO=C(c1ccccc1C(F)(F)F)N(C1CC1)C1CCC(CCO)(c2ccccn2)CC1
InChIInChI=1S/C24H27F3N2O2/c25-24(26,27)20-6-2-1-5-19(20)22(31)29(17-8-9-17)18-10-12-23(13-11-18,14-16-30)21-7-3-4-15-28-21/h1-7,15,17-18,30H,8-14,16H2
InChIKeyRUKCIYKGKWYSPE-UHFFFAOYSA-N
MW432.49 g/mol
LogP4.97
Rot. Bonds6

About N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-2-(trifluoromethyl)benzamide

N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-2-(trifluoromethyl)benzamide (PubChem CID 24965766) has the molecular formula C24H27F3N2O2 and a molecular weight of 432.49 g/mol. Its IUPAC name is N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-2-(trifluoromethyl)benzamide
PubChem CID24965766
Molecular FormulaC24H27F3N2O2
Molecular Weight432.49 g/mol
Exact Mass432.20
IUPAC NameN-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-2-(trifluoromethyl)benzamide
SMILESO=C(c1ccccc1C(F)(F)F)N(C1CC1)C1CCC(CCO)(c2ccccn2)CC1
InChIInChI=1S/C24H27F3N2O2/c25-24(26,27)20-6-2-1-5-19(20)22(31)29(17-8-9-17)18-10-12-23(13-11-18,14-16-30)21-7-3-4-15-28-21/h1-7,15,17-18,30H,8-14,16H2
InChIKeyRUKCIYKGKWYSPE-UHFFFAOYSA-N
XLogP4.97
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-2-(trifluoromethyl)benzamide (CID 24965766) is N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-2-(trifluoromethyl)benzamide is O=C(c1ccccc1C(F)(F)F)N(C1CC1)C1CCC(CCO)(c2ccccn2)CC1.
What is the InChIKey of N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-2-(trifluoromethyl)benzamide?
The InChIKey is RUKCIYKGKWYSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N2O2/c25-24(26,27)20-6-2-1-5-19(20)22(31)29(17-8-9-17)18-10-12-23(13-11-18,14-16-30)21-7-3-4-15-28-21/h1-7,15,17-18,30H,8-14,16H2.
What are the key properties of N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-2-(trifluoromethyl)benzamide?
N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-2-(trifluoromethyl)benzamide has a molecular weight of 432.49 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 24965766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).