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

C24H27F3N2O2 — CID 56677324

IUPACN-cyclopropyl-N-(4-pyridin-3-ylcyclohexyl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
SMILESCC(O)(c1ccc(C(=O)N(C2CCC(c3cccnc3)CC2)C2CC2)cc1)C(F)(F)F
InChIInChI=1S/C24H27F3N2O2/c1-23(31,24(25,26)27)19-8-4-17(5-9-19)22(30)29(21-12-13-21)20-10-6-16(7-11-20)18-3-2-14-28-15-18/h2-5,8-9,14-16,20-21,31H,6-7,10-13H2,1H3
InChIKeyFLRYWTWLHWACRP-UHFFFAOYSA-N
MW432.49 g/mol
LogP5.18
Rot. Bonds5

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

N-cyclopropyl-N-(4-pyridin-3-ylcyclohexyl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide (PubChem CID 56677324) has the molecular formula C24H27F3N2O2 and a molecular weight of 432.49 g/mol. Its IUPAC name is N-cyclopropyl-N-(4-pyridin-3-ylcyclohexyl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(4-pyridin-3-ylcyclohexyl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
PubChem CID56677324
Molecular FormulaC24H27F3N2O2
Molecular Weight432.49 g/mol
Exact Mass432.20
IUPAC NameN-cyclopropyl-N-(4-pyridin-3-ylcyclohexyl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
SMILESCC(O)(c1ccc(C(=O)N(C2CCC(c3cccnc3)CC2)C2CC2)cc1)C(F)(F)F
InChIInChI=1S/C24H27F3N2O2/c1-23(31,24(25,26)27)19-8-4-17(5-9-19)22(30)29(21-12-13-21)20-10-6-16(7-11-20)18-3-2-14-28-15-18/h2-5,8-9,14-16,20-21,31H,6-7,10-13H2,1H3
InChIKeyFLRYWTWLHWACRP-UHFFFAOYSA-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-(4-pyridin-3-ylcyclohexyl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide?
The IUPAC name of N-cyclopropyl-N-(4-pyridin-3-ylcyclohexyl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide (CID 56677324) is N-cyclopropyl-N-(4-pyridin-3-ylcyclohexyl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-N-(4-pyridin-3-ylcyclohexyl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide?
The canonical SMILES for N-cyclopropyl-N-(4-pyridin-3-ylcyclohexyl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide is CC(O)(c1ccc(C(=O)N(C2CCC(c3cccnc3)CC2)C2CC2)cc1)C(F)(F)F.
What is the InChIKey of N-cyclopropyl-N-(4-pyridin-3-ylcyclohexyl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide?
The InChIKey is FLRYWTWLHWACRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N2O2/c1-23(31,24(25,26)27)19-8-4-17(5-9-19)22(30)29(21-12-13-21)20-10-6-16(7-11-20)18-3-2-14-28-15-18/h2-5,8-9,14-16,20-21,31H,6-7,10-13H2,1H3.
What are the key properties of N-cyclopropyl-N-(4-pyridin-3-ylcyclohexyl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide?
N-cyclopropyl-N-(4-pyridin-3-ylcyclohexyl)-4-(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-(4-pyridin-3-ylcyclohexyl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide is sourced from PubChem (CID 56677324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).