2,2,2-trifluoro-N-[(2S)-1-phenyl-3-pyridin-3-yloxypropan-2-yl]acetamide

C16H15F3N2O2 — CID 71696736

IUPAC2,2,2-trifluoro-N-[(2S)-1-phenyl-3-pyridin-3-yloxypropan-2-yl]acetamide
SMILESO=C(N[C@H](COc1cccnc1)Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C16H15F3N2O2/c17-16(18,19)15(22)21-13(9-12-5-2-1-3-6-12)11-23-14-7-4-8-20-10-14/h1-8,10,13H,9,11H2,(H,21,22)/t13-/m0/s1
InChIKeyOWWKHCKNWVTLSB-ZDUSSCGKSA-N
MW324.30 g/mol
LogP2.75
Rot. Bonds6

About 2,2,2-trifluoro-N-[(2S)-1-phenyl-3-pyridin-3-yloxypropan-2-yl]acetamide

2,2,2-trifluoro-N-[(2S)-1-phenyl-3-pyridin-3-yloxypropan-2-yl]acetamide (PubChem CID 71696736) has the molecular formula C16H15F3N2O2 and a molecular weight of 324.30 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(2S)-1-phenyl-3-pyridin-3-yloxypropan-2-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(2S)-1-phenyl-3-pyridin-3-yloxypropan-2-yl]acetamide
PubChem CID71696736
Molecular FormulaC16H15F3N2O2
Molecular Weight324.30 g/mol
Exact Mass324.11
IUPAC Name2,2,2-trifluoro-N-[(2S)-1-phenyl-3-pyridin-3-yloxypropan-2-yl]acetamide
SMILESO=C(N[C@H](COc1cccnc1)Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C16H15F3N2O2/c17-16(18,19)15(22)21-13(9-12-5-2-1-3-6-12)11-23-14-7-4-8-20-10-14/h1-8,10,13H,9,11H2,(H,21,22)/t13-/m0/s1
InChIKeyOWWKHCKNWVTLSB-ZDUSSCGKSA-N
XLogP2.75
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoro-N-[(2S)-1-phenyl-3-pyridin-3-yloxypropan-2-yl]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 2,2,2-trifluoro-N-[(2S)-1-phenyl-3-pyridin-3-yloxypropan-2-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(2S)-1-phenyl-3-pyridin-3-yloxypropan-2-yl]acetamide (CID 71696736) is 2,2,2-trifluoro-N-[(2S)-1-phenyl-3-pyridin-3-yloxypropan-2-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(2S)-1-phenyl-3-pyridin-3-yloxypropan-2-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(2S)-1-phenyl-3-pyridin-3-yloxypropan-2-yl]acetamide is O=C(N[C@H](COc1cccnc1)Cc1ccccc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(2S)-1-phenyl-3-pyridin-3-yloxypropan-2-yl]acetamide?
The InChIKey is OWWKHCKNWVTLSB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H15F3N2O2/c17-16(18,19)15(22)21-13(9-12-5-2-1-3-6-12)11-23-14-7-4-8-20-10-14/h1-8,10,13H,9,11H2,(H,21,22)/t13-/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[(2S)-1-phenyl-3-pyridin-3-yloxypropan-2-yl]acetamide?
2,2,2-trifluoro-N-[(2S)-1-phenyl-3-pyridin-3-yloxypropan-2-yl]acetamide has a molecular weight of 324.30 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(2S)-1-phenyl-3-pyridin-3-yloxypropan-2-yl]acetamide is sourced from PubChem (CID 71696736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).