2,2-difluoro-N-[(1R,2S)-3-fluoro-1-(2-fluoro-4-pyridin-3-ylphenyl)-1-hydroxypropan-2-yl]acetamide

C16H14F4N2O2 — CID 58631066

IUPAC2,2-difluoro-N-[(1R,2S)-3-fluoro-1-(2-fluoro-4-pyridin-3-ylphenyl)-1-hydroxypropan-2-yl]acetamide
SMILESO=C(N[C@H](CF)[C@H](O)c1ccc(-c2cccnc2)cc1F)C(F)F
InChIInChI=1S/C16H14F4N2O2/c17-7-13(22-16(24)15(19)20)14(23)11-4-3-9(6-12(11)18)10-2-1-5-21-8-10/h1-6,8,13-15,23H,7H2,(H,22,24)/t13-,14-/m1/s1
InChIKeyLEWMWLGXBPSUHI-ZIAGYGMSSA-N
MW342.29 g/mol
LogP2.64
Rot. Bonds6

About 2,2-difluoro-N-[(1R,2S)-3-fluoro-1-(2-fluoro-4-pyridin-3-ylphenyl)-1-hydroxypropan-2-yl]acetamide

2,2-difluoro-N-[(1R,2S)-3-fluoro-1-(2-fluoro-4-pyridin-3-ylphenyl)-1-hydroxypropan-2-yl]acetamide (PubChem CID 58631066) has the molecular formula C16H14F4N2O2 and a molecular weight of 342.29 g/mol. Its IUPAC name is 2,2-difluoro-N-[(1R,2S)-3-fluoro-1-(2-fluoro-4-pyridin-3-ylphenyl)-1-hydroxypropan-2-yl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[(1R,2S)-3-fluoro-1-(2-fluoro-4-pyridin-3-ylphenyl)-1-hydroxypropan-2-yl]acetamide
PubChem CID58631066
Molecular FormulaC16H14F4N2O2
Molecular Weight342.29 g/mol
Exact Mass342.10
IUPAC Name2,2-difluoro-N-[(1R,2S)-3-fluoro-1-(2-fluoro-4-pyridin-3-ylphenyl)-1-hydroxypropan-2-yl]acetamide
SMILESO=C(N[C@H](CF)[C@H](O)c1ccc(-c2cccnc2)cc1F)C(F)F
InChIInChI=1S/C16H14F4N2O2/c17-7-13(22-16(24)15(19)20)14(23)11-4-3-9(6-12(11)18)10-2-1-5-21-8-10/h1-6,8,13-15,23H,7H2,(H,22,24)/t13-,14-/m1/s1
InChIKeyLEWMWLGXBPSUHI-ZIAGYGMSSA-N
XLogP2.64
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.29
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(1R,2S)-3-fluoro-1-(2-fluoro-4-pyridin-3-ylphenyl)-1-hydroxypropan-2-yl]acetamide?
The IUPAC name of 2,2-difluoro-N-[(1R,2S)-3-fluoro-1-(2-fluoro-4-pyridin-3-ylphenyl)-1-hydroxypropan-2-yl]acetamide (CID 58631066) is 2,2-difluoro-N-[(1R,2S)-3-fluoro-1-(2-fluoro-4-pyridin-3-ylphenyl)-1-hydroxypropan-2-yl]acetamide.
What is the SMILES notation for 2,2-difluoro-N-[(1R,2S)-3-fluoro-1-(2-fluoro-4-pyridin-3-ylphenyl)-1-hydroxypropan-2-yl]acetamide?
The canonical SMILES for 2,2-difluoro-N-[(1R,2S)-3-fluoro-1-(2-fluoro-4-pyridin-3-ylphenyl)-1-hydroxypropan-2-yl]acetamide is O=C(N[C@H](CF)[C@H](O)c1ccc(-c2cccnc2)cc1F)C(F)F.
What is the InChIKey of 2,2-difluoro-N-[(1R,2S)-3-fluoro-1-(2-fluoro-4-pyridin-3-ylphenyl)-1-hydroxypropan-2-yl]acetamide?
The InChIKey is LEWMWLGXBPSUHI-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H14F4N2O2/c17-7-13(22-16(24)15(19)20)14(23)11-4-3-9(6-12(11)18)10-2-1-5-21-8-10/h1-6,8,13-15,23H,7H2,(H,22,24)/t13-,14-/m1/s1.
What are the key properties of 2,2-difluoro-N-[(1R,2S)-3-fluoro-1-(2-fluoro-4-pyridin-3-ylphenyl)-1-hydroxypropan-2-yl]acetamide?
2,2-difluoro-N-[(1R,2S)-3-fluoro-1-(2-fluoro-4-pyridin-3-ylphenyl)-1-hydroxypropan-2-yl]acetamide has a molecular weight of 342.29 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(1R,2S)-3-fluoro-1-(2-fluoro-4-pyridin-3-ylphenyl)-1-hydroxypropan-2-yl]acetamide is sourced from PubChem (CID 58631066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).