N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide

C22H22F4N4O3 — CID 158843578

IUPACN-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCCN(C(=O)c1cccc(F)c1-c1nnc(C)o1)[C@@H](C)COc1ncc(C(C)(F)F)cc1F
InChIInChI=1S/C22H22F4N4O3/c1-5-30(12(2)11-32-19-17(24)9-14(10-27-19)22(4,25)26)21(31)15-7-6-8-16(23)18(15)20-29-28-13(3)33-20/h6-10,12H,5,11H2,1-4H3/t12-/m0/s1
InChIKeyIHGDULVCOXXIRH-LBPRGKRZSA-N
MW466.44 g/mol
LogP4.76
Rot. Bonds8

About N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide

N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 158843578) has the molecular formula C22H22F4N4O3 and a molecular weight of 466.44 g/mol. Its IUPAC name is N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID158843578
Molecular FormulaC22H22F4N4O3
Molecular Weight466.44 g/mol
Exact Mass466.16
IUPAC NameN-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCCN(C(=O)c1cccc(F)c1-c1nnc(C)o1)[C@@H](C)COc1ncc(C(C)(F)F)cc1F
InChIInChI=1S/C22H22F4N4O3/c1-5-30(12(2)11-32-19-17(24)9-14(10-27-19)22(4,25)26)21(31)15-7-6-8-16(23)18(15)20-29-28-13(3)33-20/h6-10,12H,5,11H2,1-4H3/t12-/m0/s1
InChIKeyIHGDULVCOXXIRH-LBPRGKRZSA-N
XLogP4.76
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.44
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-N-[(2S)-1-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-3-methyl-2-(triazol-2-yl)benzamide
CID 146576877
N-[(2S)-1-[[5-[difluoro(phosphanyl)methyl]-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3,4-dimethyl-2-(triazol-2-yl)benzamide
CID 146577185
N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3-methyl-2-(triazol-2-yl)benzamide
CID 157107935
N-ethyl-N-[(2S)-1-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-[methyl-[(Z)-pent-2-ynylideneamino]amino]benzamide
CID 146577518
N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-2-pyrimidin-2-ylbenzamide
CID 160867836
N-[(2S)-1-[[5-(1,1-difluoropropyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-2-[methyl-[(Z)-[(E)-3-methylpent-2-enylidene]amino]amino]benzamide;ethane
CID 145383245
N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-fluoro-6-pyrimidin-2-ylbenzamide
CID 157499821
N-ethyl-3,4-difluoro-N-[1-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-[methyl-[(Z)-pent-2-ynylideneamino]amino]benzamide
CID 145383276
N-ethyl-N-[(2S)-1-[(3-fluoro-5-methyl-2-pyridinyl)oxy]propan-2-yl]-6-methyl-2-(triazol-2-yl)pyridine-3-carboxamide
CID 159703204
N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3,4-dimethyl-2-(triazol-2-yl)benzamide
CID 161459989
N-ethyl-5-fluoro-N-[(2S)-1-[(3-fluoro-5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-(triazol-2-yl)pyridine-3-carboxamide
CID 159703202
N-[(2S)-1-[[5-(1,1-difluoroethoxy)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-2-pyrimidin-2-ylbenzamide;N-ethyl-4-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-pyrimidin-2-ylbenzamide
CID 161135253

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide (CID 158843578) is N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide is CCN(C(=O)c1cccc(F)c1-c1nnc(C)o1)[C@@H](C)COc1ncc(C(C)(F)F)cc1F.
What is the InChIKey of N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is IHGDULVCOXXIRH-LBPRGKRZSA-N. The full InChI is InChI=1S/C22H22F4N4O3/c1-5-30(12(2)11-32-19-17(24)9-14(10-27-19)22(4,25)26)21(31)15-7-6-8-16(23)18(15)20-29-28-13(3)33-20/h6-10,12H,5,11H2,1-4H3/t12-/m0/s1.
What are the key properties of N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 466.44 g/mol, XLogP of 4.76, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 158843578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).