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

C24H26F4N2O2 — CID 25019563

IUPACN-cyclopropyl-N-(4-fluoro-4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
SMILESC[C@](O)(c1ccc(C(=O)N(C2CC2)C2CCC(F)(c3cccnc3)CC2)cc1)C(F)(F)F
InChIInChI=1S/C24H26F4N2O2/c1-22(32,24(26,27)28)17-6-4-16(5-7-17)21(31)30(19-8-9-19)20-10-12-23(25,13-11-20)18-3-2-14-29-15-18/h2-7,14-15,19-20,32H,8-13H2,1H3/t20?,22-,23?/m0/s1
InChIKeyGMXGXOZQWMNEFK-APKLWFBNSA-N
MW450.48 g/mol
LogP5.26
Rot. Bonds5

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

N-cyclopropyl-N-(4-fluoro-4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide (PubChem CID 25019563) has the molecular formula C24H26F4N2O2 and a molecular weight of 450.48 g/mol. Its IUPAC name is N-cyclopropyl-N-(4-fluoro-4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(4-fluoro-4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
PubChem CID25019563
Molecular FormulaC24H26F4N2O2
Molecular Weight450.48 g/mol
Exact Mass450.19
IUPAC NameN-cyclopropyl-N-(4-fluoro-4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
SMILESC[C@](O)(c1ccc(C(=O)N(C2CC2)C2CCC(F)(c3cccnc3)CC2)cc1)C(F)(F)F
InChIInChI=1S/C24H26F4N2O2/c1-22(32,24(26,27)28)17-6-4-16(5-7-17)21(31)30(19-8-9-19)20-10-12-23(25,13-11-20)18-3-2-14-29-15-18/h2-7,14-15,19-20,32H,8-13H2,1H3/t20?,22-,23?/m0/s1
InChIKeyGMXGXOZQWMNEFK-APKLWFBNSA-N
XLogP5.26
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.48
LogP ≤ 55.26
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-fluoro-4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
The IUPAC name of N-cyclopropyl-N-(4-fluoro-4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide (CID 25019563) is N-cyclopropyl-N-(4-fluoro-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-fluoro-4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
The canonical SMILES for N-cyclopropyl-N-(4-fluoro-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(F)(c3cccnc3)CC2)cc1)C(F)(F)F.
What is the InChIKey of N-cyclopropyl-N-(4-fluoro-4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
The InChIKey is GMXGXOZQWMNEFK-APKLWFBNSA-N. The full InChI is InChI=1S/C24H26F4N2O2/c1-22(32,24(26,27)28)17-6-4-16(5-7-17)21(31)30(19-8-9-19)20-10-12-23(25,13-11-20)18-3-2-14-29-15-18/h2-7,14-15,19-20,32H,8-13H2,1H3/t20?,22-,23?/m0/s1.
What are the key properties of N-cyclopropyl-N-(4-fluoro-4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
N-cyclopropyl-N-(4-fluoro-4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide has a molecular weight of 450.48 g/mol, XLogP of 5.26, 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-fluoro-4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide is sourced from PubChem (CID 25019563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).