2-(4-tert-butylphenyl)-N-[(R)-[1-(2-fluoroethyl)triazol-4-yl]-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]acetamide

C24H27F4N5O2 — CID 52932158

IUPAC2-(4-tert-butylphenyl)-N-[(R)-[1-(2-fluoroethyl)triazol-4-yl]-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]acetamide
SMILESCC(C)(C)c1ccc(CC(=O)N[C@@H](c2ccc(OCC(F)(F)F)cn2)c2cn(CCF)nn2)cc1
InChIInChI=1S/C24H27F4N5O2/c1-23(2,3)17-6-4-16(5-7-17)12-21(34)30-22(20-14-33(11-10-25)32-31-20)19-9-8-18(13-29-19)35-15-24(26,27)28/h4-9,13-14,22H,10-12,15H2,1-3H3,(H,30,34)/t22-/m0/s1
InChIKeyFERYVFXCIHQEJS-QFIPXVFZSA-N
MW493.51 g/mol
LogP4.33
Rot. Bonds9

About 2-(4-tert-butylphenyl)-N-[(R)-[1-(2-fluoroethyl)triazol-4-yl]-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]acetamide

2-(4-tert-butylphenyl)-N-[(R)-[1-(2-fluoroethyl)triazol-4-yl]-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]acetamide (PubChem CID 52932158) has the molecular formula C24H27F4N5O2 and a molecular weight of 493.51 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-N-[(R)-[1-(2-fluoroethyl)triazol-4-yl]-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-N-[(R)-[1-(2-fluoroethyl)triazol-4-yl]-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]acetamide
PubChem CID52932158
Molecular FormulaC24H27F4N5O2
Molecular Weight493.51 g/mol
Exact Mass493.21
IUPAC Name2-(4-tert-butylphenyl)-N-[(R)-[1-(2-fluoroethyl)triazol-4-yl]-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]acetamide
SMILESCC(C)(C)c1ccc(CC(=O)N[C@@H](c2ccc(OCC(F)(F)F)cn2)c2cn(CCF)nn2)cc1
InChIInChI=1S/C24H27F4N5O2/c1-23(2,3)17-6-4-16(5-7-17)12-21(34)30-22(20-14-33(11-10-25)32-31-20)19-9-8-18(13-29-19)35-15-24(26,27)28/h4-9,13-14,22H,10-12,15H2,1-3H3,(H,30,34)/t22-/m0/s1
InChIKeyFERYVFXCIHQEJS-QFIPXVFZSA-N
XLogP4.33
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.51
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-tert-butylphenyl)-N-[(R)-[1-(2-fluoroethyl)triazol-4-yl]-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-N-[(R)-[1-(2-fluoroethyl)triazol-4-yl]-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]acetamide?
The IUPAC name of 2-(4-tert-butylphenyl)-N-[(R)-[1-(2-fluoroethyl)triazol-4-yl]-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]acetamide (CID 52932158) is 2-(4-tert-butylphenyl)-N-[(R)-[1-(2-fluoroethyl)triazol-4-yl]-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-(4-tert-butylphenyl)-N-[(R)-[1-(2-fluoroethyl)triazol-4-yl]-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-(4-tert-butylphenyl)-N-[(R)-[1-(2-fluoroethyl)triazol-4-yl]-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]acetamide is CC(C)(C)c1ccc(CC(=O)N[C@@H](c2ccc(OCC(F)(F)F)cn2)c2cn(CCF)nn2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-N-[(R)-[1-(2-fluoroethyl)triazol-4-yl]-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]acetamide?
The InChIKey is FERYVFXCIHQEJS-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H27F4N5O2/c1-23(2,3)17-6-4-16(5-7-17)12-21(34)30-22(20-14-33(11-10-25)32-31-20)19-9-8-18(13-29-19)35-15-24(26,27)28/h4-9,13-14,22H,10-12,15H2,1-3H3,(H,30,34)/t22-/m0/s1.
What are the key properties of 2-(4-tert-butylphenyl)-N-[(R)-[1-(2-fluoroethyl)triazol-4-yl]-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]acetamide?
2-(4-tert-butylphenyl)-N-[(R)-[1-(2-fluoroethyl)triazol-4-yl]-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]acetamide has a molecular weight of 493.51 g/mol, XLogP of 4.33, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-N-[(R)-[1-(2-fluoroethyl)triazol-4-yl]-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]acetamide is sourced from PubChem (CID 52932158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).