2-[4-(3,4-difluorophenyl)phenyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide

C23H19F5N2O2 — CID 70311806

IUPAC2-[4-(3,4-difluorophenyl)phenyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
SMILESC[C@@H](NC(=O)Cc1ccc(-c2ccc(F)c(F)c2)cc1)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C23H19F5N2O2/c1-14(21-9-7-18(12-29-21)32-13-23(26,27)28)30-22(31)10-15-2-4-16(5-3-15)17-6-8-19(24)20(25)11-17/h2-9,11-12,14H,10,13H2,1H3,(H,30,31)/t14-/m1/s1
InChIKeyAASWYFOZCYFMPH-CQSZACIVSA-N
MW450.41 g/mol
LogP5.39
Rot. Bonds7

About 2-[4-(3,4-difluorophenyl)phenyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide

2-[4-(3,4-difluorophenyl)phenyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide (PubChem CID 70311806) has the molecular formula C23H19F5N2O2 and a molecular weight of 450.41 g/mol. Its IUPAC name is 2-[4-(3,4-difluorophenyl)phenyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(3,4-difluorophenyl)phenyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
PubChem CID70311806
Molecular FormulaC23H19F5N2O2
Molecular Weight450.41 g/mol
Exact Mass450.14
IUPAC Name2-[4-(3,4-difluorophenyl)phenyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
SMILESC[C@@H](NC(=O)Cc1ccc(-c2ccc(F)c(F)c2)cc1)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C23H19F5N2O2/c1-14(21-9-7-18(12-29-21)32-13-23(26,27)28)30-22(31)10-15-2-4-16(5-3-15)17-6-8-19(24)20(25)11-17/h2-9,11-12,14H,10,13H2,1H3,(H,30,31)/t14-/m1/s1
InChIKeyAASWYFOZCYFMPH-CQSZACIVSA-N
XLogP5.39
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.41
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-difluorophenyl)phenyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide?
The IUPAC name of 2-[4-(3,4-difluorophenyl)phenyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide (CID 70311806) is 2-[4-(3,4-difluorophenyl)phenyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide.
What is the SMILES notation for 2-[4-(3,4-difluorophenyl)phenyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide?
The canonical SMILES for 2-[4-(3,4-difluorophenyl)phenyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide is C[C@@H](NC(=O)Cc1ccc(-c2ccc(F)c(F)c2)cc1)c1ccc(OCC(F)(F)F)cn1.
What is the InChIKey of 2-[4-(3,4-difluorophenyl)phenyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide?
The InChIKey is AASWYFOZCYFMPH-CQSZACIVSA-N. The full InChI is InChI=1S/C23H19F5N2O2/c1-14(21-9-7-18(12-29-21)32-13-23(26,27)28)30-22(31)10-15-2-4-16(5-3-15)17-6-8-19(24)20(25)11-17/h2-9,11-12,14H,10,13H2,1H3,(H,30,31)/t14-/m1/s1.
What are the key properties of 2-[4-(3,4-difluorophenyl)phenyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide?
2-[4-(3,4-difluorophenyl)phenyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide has a molecular weight of 450.41 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-difluorophenyl)phenyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide is sourced from PubChem (CID 70311806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).