2,2-difluoro-N-[3-fluoro-1-hydroxy-1-[4-(1,3,4-oxadiazol-2-yl)phenyl]propan-2-yl]acetamide

C13H12F3N3O3 — CID 23570510

IUPAC2,2-difluoro-N-[3-fluoro-1-hydroxy-1-[4-(1,3,4-oxadiazol-2-yl)phenyl]propan-2-yl]acetamide
SMILESO=C(NC(CF)C(O)c1ccc(-c2nnco2)cc1)C(F)F
InChIInChI=1S/C13H12F3N3O3/c14-5-9(18-12(21)11(15)16)10(20)7-1-3-8(4-2-7)13-19-17-6-22-13/h1-4,6,9-11,20H,5H2,(H,18,21)
InChIKeyHWIBRRKXELLFIE-UHFFFAOYSA-N
MW315.25 g/mol
LogP1.49
Rot. Bonds6

About 2,2-difluoro-N-[3-fluoro-1-hydroxy-1-[4-(1,3,4-oxadiazol-2-yl)phenyl]propan-2-yl]acetamide

2,2-difluoro-N-[3-fluoro-1-hydroxy-1-[4-(1,3,4-oxadiazol-2-yl)phenyl]propan-2-yl]acetamide (PubChem CID 23570510) has the molecular formula C13H12F3N3O3 and a molecular weight of 315.25 g/mol. Its IUPAC name is 2,2-difluoro-N-[3-fluoro-1-hydroxy-1-[4-(1,3,4-oxadiazol-2-yl)phenyl]propan-2-yl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[3-fluoro-1-hydroxy-1-[4-(1,3,4-oxadiazol-2-yl)phenyl]propan-2-yl]acetamide
PubChem CID23570510
Molecular FormulaC13H12F3N3O3
Molecular Weight315.25 g/mol
Exact Mass315.08
IUPAC Name2,2-difluoro-N-[3-fluoro-1-hydroxy-1-[4-(1,3,4-oxadiazol-2-yl)phenyl]propan-2-yl]acetamide
SMILESO=C(NC(CF)C(O)c1ccc(-c2nnco2)cc1)C(F)F
InChIInChI=1S/C13H12F3N3O3/c14-5-9(18-12(21)11(15)16)10(20)7-1-3-8(4-2-7)13-19-17-6-22-13/h1-4,6,9-11,20H,5H2,(H,18,21)
InChIKeyHWIBRRKXELLFIE-UHFFFAOYSA-N
XLogP1.49
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.25
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,2S)-1-[4-(4-cyanophenyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide
CID 142806634
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
2,2-difluoro-N-[3-fluoro-1-hydroxy-1-[4-[5-(methylsulfonylmethyl)thiophen-2-yl]phenyl]propan-2-yl]acetamide
CID 123753915
N-[1-[4-[6-(3-aminooxetan-3-yl)-3-pyridinyl]phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide
CID 78164063
2,2-difluoro-N-[3-fluoro-1-hydroxy-1-[4-[6-(methylsulfonylmethyl)-3-pyridinyl]phenyl]propan-2-yl]acetamide
CID 123440196
N-[1-[4-[6-(2-amino-1,1-difluoroethyl)-3-pyridinyl]phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide
CID 123536863
(2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 8528203
2,2-difluoro-N-[(1S,2S)-3-fluoro-1-hydroxy-1-[4-[6-(sulfamoylmethyl)-3-pyridinyl]phenyl]propan-2-yl]acetamide
CID 90074737
N-[(1R,2S)-1-[4-(4,5-dihydro-1,2-oxazol-5-yl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide
CID 163696191
2,2-difluoro-N-[3-fluoro-1-hydroxy-1-[4-[6-[(methylcarbamoylamino)methyl]-3-pyridinyl]phenyl]propan-2-yl]acetamide
CID 123542134
N-[(1S,2S)-1-[4-[6-(azetidin-3-yl)-3-pyridinyl]phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide
CID 90074791
2,2-difluoro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-[4-[6-[(methylsulfonimidoyl)methyl]-3-pyridinyl]phenyl]propan-2-yl]acetamide
CID 162396830

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[3-fluoro-1-hydroxy-1-[4-(1,3,4-oxadiazol-2-yl)phenyl]propan-2-yl]acetamide?
The IUPAC name of 2,2-difluoro-N-[3-fluoro-1-hydroxy-1-[4-(1,3,4-oxadiazol-2-yl)phenyl]propan-2-yl]acetamide (CID 23570510) is 2,2-difluoro-N-[3-fluoro-1-hydroxy-1-[4-(1,3,4-oxadiazol-2-yl)phenyl]propan-2-yl]acetamide.
What is the SMILES notation for 2,2-difluoro-N-[3-fluoro-1-hydroxy-1-[4-(1,3,4-oxadiazol-2-yl)phenyl]propan-2-yl]acetamide?
The canonical SMILES for 2,2-difluoro-N-[3-fluoro-1-hydroxy-1-[4-(1,3,4-oxadiazol-2-yl)phenyl]propan-2-yl]acetamide is O=C(NC(CF)C(O)c1ccc(-c2nnco2)cc1)C(F)F.
What is the InChIKey of 2,2-difluoro-N-[3-fluoro-1-hydroxy-1-[4-(1,3,4-oxadiazol-2-yl)phenyl]propan-2-yl]acetamide?
The InChIKey is HWIBRRKXELLFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O3/c14-5-9(18-12(21)11(15)16)10(20)7-1-3-8(4-2-7)13-19-17-6-22-13/h1-4,6,9-11,20H,5H2,(H,18,21).
What are the key properties of 2,2-difluoro-N-[3-fluoro-1-hydroxy-1-[4-(1,3,4-oxadiazol-2-yl)phenyl]propan-2-yl]acetamide?
2,2-difluoro-N-[3-fluoro-1-hydroxy-1-[4-(1,3,4-oxadiazol-2-yl)phenyl]propan-2-yl]acetamide has a molecular weight of 315.25 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[3-fluoro-1-hydroxy-1-[4-(1,3,4-oxadiazol-2-yl)phenyl]propan-2-yl]acetamide is sourced from PubChem (CID 23570510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).