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

C25H29F3N2O3 — CID 25015961

IUPACN-cyclopropyl-N-(4-methoxy-4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
SMILESCOC1(c2cccnc2)CCC(N(C(=O)c2ccc([C@](C)(O)C(F)(F)F)cc2)C2CC2)CC1
InChIInChI=1S/C25H29F3N2O3/c1-23(32,25(26,27)28)18-7-5-17(6-8-18)22(31)30(20-9-10-20)21-11-13-24(33-2,14-12-21)19-4-3-15-29-16-19/h3-8,15-16,20-21,32H,9-14H2,1-2H3/t21?,23-,24?/m0/s1
InChIKeyFSXGSHCRNKJLJL-RZMWZJFBSA-N
MW462.51 g/mol
LogP4.94
Rot. Bonds6

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

N-cyclopropyl-N-(4-methoxy-4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide (PubChem CID 25015961) has the molecular formula C25H29F3N2O3 and a molecular weight of 462.51 g/mol. Its IUPAC name is N-cyclopropyl-N-(4-methoxy-4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(4-methoxy-4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
PubChem CID25015961
Molecular FormulaC25H29F3N2O3
Molecular Weight462.51 g/mol
Exact Mass462.21
IUPAC NameN-cyclopropyl-N-(4-methoxy-4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
SMILESCOC1(c2cccnc2)CCC(N(C(=O)c2ccc([C@](C)(O)C(F)(F)F)cc2)C2CC2)CC1
InChIInChI=1S/C25H29F3N2O3/c1-23(32,25(26,27)28)18-7-5-17(6-8-18)22(31)30(20-9-10-20)21-11-13-24(33-2,14-12-21)19-4-3-15-29-16-19/h3-8,15-16,20-21,32H,9-14H2,1-2H3/t21?,23-,24?/m0/s1
InChIKeyFSXGSHCRNKJLJL-RZMWZJFBSA-N
XLogP4.94
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(4-methoxy-4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
The IUPAC name of N-cyclopropyl-N-(4-methoxy-4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide (CID 25015961) is N-cyclopropyl-N-(4-methoxy-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-methoxy-4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
The canonical SMILES for N-cyclopropyl-N-(4-methoxy-4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide is COC1(c2cccnc2)CCC(N(C(=O)c2ccc([C@](C)(O)C(F)(F)F)cc2)C2CC2)CC1.
What is the InChIKey of N-cyclopropyl-N-(4-methoxy-4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
The InChIKey is FSXGSHCRNKJLJL-RZMWZJFBSA-N. The full InChI is InChI=1S/C25H29F3N2O3/c1-23(32,25(26,27)28)18-7-5-17(6-8-18)22(31)30(20-9-10-20)21-11-13-24(33-2,14-12-21)19-4-3-15-29-16-19/h3-8,15-16,20-21,32H,9-14H2,1-2H3/t21?,23-,24?/m0/s1.
What are the key properties of N-cyclopropyl-N-(4-methoxy-4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
N-cyclopropyl-N-(4-methoxy-4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide has a molecular weight of 462.51 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(4-methoxy-4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide is sourced from PubChem (CID 25015961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).