2,2-difluoro-N-[(1S,2S)-3-fluoro-1-hydroxy-1-[4-[6-(oxetan-3-yl)-3-pyridinyl]phenyl]propan-2-yl]acetamide

C19H19F3N2O3 — CID 90074490

IUPAC2,2-difluoro-N-[(1S,2S)-3-fluoro-1-hydroxy-1-[4-[6-(oxetan-3-yl)-3-pyridinyl]phenyl]propan-2-yl]acetamide
SMILESO=C(N[C@H](CF)[C@@H](O)c1ccc(-c2ccc(C3COC3)nc2)cc1)C(F)F
InChIInChI=1S/C19H19F3N2O3/c20-7-16(24-19(26)18(21)22)17(25)12-3-1-11(2-4-12)13-5-6-15(23-8-13)14-9-27-10-14/h1-6,8,14,16-18,25H,7,9-10H2,(H,24,26)/t16-,17+/m1/s1
InChIKeyWHCRYZBPJGGWOE-SJORKVTESA-N
MW380.37 g/mol
LogP2.62
Rot. Bonds7

About 2,2-difluoro-N-[(1S,2S)-3-fluoro-1-hydroxy-1-[4-[6-(oxetan-3-yl)-3-pyridinyl]phenyl]propan-2-yl]acetamide

2,2-difluoro-N-[(1S,2S)-3-fluoro-1-hydroxy-1-[4-[6-(oxetan-3-yl)-3-pyridinyl]phenyl]propan-2-yl]acetamide (PubChem CID 90074490) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is 2,2-difluoro-N-[(1S,2S)-3-fluoro-1-hydroxy-1-[4-[6-(oxetan-3-yl)-3-pyridinyl]phenyl]propan-2-yl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[(1S,2S)-3-fluoro-1-hydroxy-1-[4-[6-(oxetan-3-yl)-3-pyridinyl]phenyl]propan-2-yl]acetamide
PubChem CID90074490
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC Name2,2-difluoro-N-[(1S,2S)-3-fluoro-1-hydroxy-1-[4-[6-(oxetan-3-yl)-3-pyridinyl]phenyl]propan-2-yl]acetamide
SMILESO=C(N[C@H](CF)[C@@H](O)c1ccc(-c2ccc(C3COC3)nc2)cc1)C(F)F
InChIInChI=1S/C19H19F3N2O3/c20-7-16(24-19(26)18(21)22)17(25)12-3-1-11(2-4-12)13-5-6-15(23-8-13)14-9-27-10-14/h1-6,8,14,16-18,25H,7,9-10H2,(H,24,26)/t16-,17+/m1/s1
InChIKeyWHCRYZBPJGGWOE-SJORKVTESA-N
XLogP2.62
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(1S,2S)-3-fluoro-1-hydroxy-1-[4-[6-(oxetan-3-yl)-3-pyridinyl]phenyl]propan-2-yl]acetamide?
The IUPAC name of 2,2-difluoro-N-[(1S,2S)-3-fluoro-1-hydroxy-1-[4-[6-(oxetan-3-yl)-3-pyridinyl]phenyl]propan-2-yl]acetamide (CID 90074490) is 2,2-difluoro-N-[(1S,2S)-3-fluoro-1-hydroxy-1-[4-[6-(oxetan-3-yl)-3-pyridinyl]phenyl]propan-2-yl]acetamide.
What is the SMILES notation for 2,2-difluoro-N-[(1S,2S)-3-fluoro-1-hydroxy-1-[4-[6-(oxetan-3-yl)-3-pyridinyl]phenyl]propan-2-yl]acetamide?
The canonical SMILES for 2,2-difluoro-N-[(1S,2S)-3-fluoro-1-hydroxy-1-[4-[6-(oxetan-3-yl)-3-pyridinyl]phenyl]propan-2-yl]acetamide is O=C(N[C@H](CF)[C@@H](O)c1ccc(-c2ccc(C3COC3)nc2)cc1)C(F)F.
What is the InChIKey of 2,2-difluoro-N-[(1S,2S)-3-fluoro-1-hydroxy-1-[4-[6-(oxetan-3-yl)-3-pyridinyl]phenyl]propan-2-yl]acetamide?
The InChIKey is WHCRYZBPJGGWOE-SJORKVTESA-N. The full InChI is InChI=1S/C19H19F3N2O3/c20-7-16(24-19(26)18(21)22)17(25)12-3-1-11(2-4-12)13-5-6-15(23-8-13)14-9-27-10-14/h1-6,8,14,16-18,25H,7,9-10H2,(H,24,26)/t16-,17+/m1/s1.
What are the key properties of 2,2-difluoro-N-[(1S,2S)-3-fluoro-1-hydroxy-1-[4-[6-(oxetan-3-yl)-3-pyridinyl]phenyl]propan-2-yl]acetamide?
2,2-difluoro-N-[(1S,2S)-3-fluoro-1-hydroxy-1-[4-[6-(oxetan-3-yl)-3-pyridinyl]phenyl]propan-2-yl]acetamide has a molecular weight of 380.37 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(1S,2S)-3-fluoro-1-hydroxy-1-[4-[6-(oxetan-3-yl)-3-pyridinyl]phenyl]propan-2-yl]acetamide is sourced from PubChem (CID 90074490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).