N-ethyl-4,5-difluoro-2-(triazol-2-yl)-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-yl]benzamide

C19H17F5N6O2 — CID 146578001

IUPACN-ethyl-4,5-difluoro-2-(triazol-2-yl)-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-yl]benzamide
SMILESCCN(C(=O)c1cc(F)c(F)cc1-n1nccn1)C(C)COc1cnc(C(F)(F)F)cn1
InChIInChI=1S/C19H17F5N6O2/c1-3-29(11(2)10-32-17-9-25-16(8-26-17)19(22,23)24)18(31)12-6-13(20)14(21)7-15(12)30-27-4-5-28-30/h4-9,11H,3,10H2,1-2H3
InChIKeyPVVJLEZYARJPQQ-UHFFFAOYSA-N
MW456.38 g/mol
LogP3.28
Rot. Bonds7

About N-ethyl-4,5-difluoro-2-(triazol-2-yl)-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-yl]benzamide

N-ethyl-4,5-difluoro-2-(triazol-2-yl)-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-yl]benzamide (PubChem CID 146578001) has the molecular formula C19H17F5N6O2 and a molecular weight of 456.38 g/mol. Its IUPAC name is N-ethyl-4,5-difluoro-2-(triazol-2-yl)-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-yl]benzamide.

Molecular Properties

Compound NameN-ethyl-4,5-difluoro-2-(triazol-2-yl)-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-yl]benzamide
PubChem CID146578001
Molecular FormulaC19H17F5N6O2
Molecular Weight456.38 g/mol
Exact Mass456.13
IUPAC NameN-ethyl-4,5-difluoro-2-(triazol-2-yl)-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-yl]benzamide
SMILESCCN(C(=O)c1cc(F)c(F)cc1-n1nccn1)C(C)COc1cnc(C(F)(F)F)cn1
InChIInChI=1S/C19H17F5N6O2/c1-3-29(11(2)10-32-17-9-25-16(8-26-17)19(22,23)24)18(31)12-6-13(20)14(21)7-15(12)30-27-4-5-28-30/h4-9,11H,3,10H2,1-2H3
InChIKeyPVVJLEZYARJPQQ-UHFFFAOYSA-N
XLogP3.28
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.38
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-4-fluoro-2-(triazol-2-yl)-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]oxypropan-2-yl]benzamide
CID 146589961
4-chloro-N-[(2S)-1-[[5-[difluoro(phosphanyl)methyl]-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide
CID 146577187
5-chloro-N-ethyl-2-(triazol-2-yl)-N-[1-[[5-(trifluoromethyl)pyrazin-2-yl]amino]propan-2-yl]benzamide
CID 137473849
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-ethyl-3,4-difluoro-N-[(2S)-1-(5-methylpyrazin-2-yl)oxypropan-2-yl]-2-(triazol-2-yl)benzamide;N-ethyl-3,5-difluoro-N-[(2S)-1-(5-methylpyrazin-2-yl)oxypropan-2-yl]-2-(triazol-2-yl)benzamide;N-ethyl-4,5-difluoro-N-[(2S)-1-(5-methylpyrazin-2-yl)oxypropan-2-yl]-2-(triazol-2-yl)benzamide;N-ethyl-5-fluoro-N-[(2S)-1-(5-methylpyrazin-2-yl)oxypropan-2-yl]-2-(triazol-2-yl)benzamide;N-ethyl-5-methoxy-N-[(2S)-1-(5-methylpyrazin-2-yl)oxypropan-2-yl]-2-(triazol-2-yl)benzamide;N-ethyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(2S)-1-(5-methylpyrazin-2-yl)oxypropan-2-yl]benzamide;N-ethyl-N-[(2S)-1-(5-methylpyrazin-2-yl)oxypropan-2-yl]-2-(triazol-2-yl)-5-(trifluoromethyl)benzamide
CID 158914842
N-[(2S)-1-[(5-chloro-2-pyridinyl)oxy]propan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide
CID 138555467
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-ethyl-5-fluoro-2-(triazol-2-yl)-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]hexan-3-yl]benzamide
CID 170241702
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-ethyl-N-[(2S)-1-(methoxymethoxy)propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
CID 90069302
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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,5-difluoro-2-(triazol-2-yl)-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-yl]benzamide?
The IUPAC name of N-ethyl-4,5-difluoro-2-(triazol-2-yl)-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-yl]benzamide (CID 146578001) is N-ethyl-4,5-difluoro-2-(triazol-2-yl)-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-yl]benzamide.
What is the SMILES notation for N-ethyl-4,5-difluoro-2-(triazol-2-yl)-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-yl]benzamide?
The canonical SMILES for N-ethyl-4,5-difluoro-2-(triazol-2-yl)-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-yl]benzamide is CCN(C(=O)c1cc(F)c(F)cc1-n1nccn1)C(C)COc1cnc(C(F)(F)F)cn1.
What is the InChIKey of N-ethyl-4,5-difluoro-2-(triazol-2-yl)-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-yl]benzamide?
The InChIKey is PVVJLEZYARJPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F5N6O2/c1-3-29(11(2)10-32-17-9-25-16(8-26-17)19(22,23)24)18(31)12-6-13(20)14(21)7-15(12)30-27-4-5-28-30/h4-9,11H,3,10H2,1-2H3.
What are the key properties of N-ethyl-4,5-difluoro-2-(triazol-2-yl)-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-yl]benzamide?
N-ethyl-4,5-difluoro-2-(triazol-2-yl)-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-yl]benzamide has a molecular weight of 456.38 g/mol, XLogP of 3.28, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,5-difluoro-2-(triazol-2-yl)-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-yl]benzamide is sourced from PubChem (CID 146578001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).