N-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methylpropan-2-amine;pyrazine-2-carboxamide

C18H22F4N4O — CID 171924517

IUPACN-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methylpropan-2-amine;pyrazine-2-carboxamide
SMILESCC(NC(C)(C)C)c1cc(C(F)(F)F)ccc1F.NC(=O)c1cnccn1
InChIInChI=1S/C13H17F4N.C5H5N3O/c1-8(18-12(2,3)4)10-7-9(13(15,16)17)5-6-11(10)14;6-5(9)4-3-7-1-2-8-4/h5-8,18H,1-4H3;1-3H,(H2,6,9)
InChIKeyHYZVSNGXRZBGDI-UHFFFAOYSA-N
MW386.39 g/mol
LogP3.87
Rot. Bonds3

About N-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methylpropan-2-amine;pyrazine-2-carboxamide

N-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methylpropan-2-amine;pyrazine-2-carboxamide (PubChem CID 171924517) has the molecular formula C18H22F4N4O and a molecular weight of 386.39 g/mol. Its IUPAC name is N-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methylpropan-2-amine;pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methylpropan-2-amine;pyrazine-2-carboxamide
PubChem CID171924517
Molecular FormulaC18H22F4N4O
Molecular Weight386.39 g/mol
Exact Mass386.17
IUPAC NameN-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methylpropan-2-amine;pyrazine-2-carboxamide
SMILESCC(NC(C)(C)C)c1cc(C(F)(F)F)ccc1F.NC(=O)c1cnccn1
InChIInChI=1S/C13H17F4N.C5H5N3O/c1-8(18-12(2,3)4)10-7-9(13(15,16)17)5-6-11(10)14;6-5(9)4-3-7-1-2-8-4/h5-8,18H,1-4H3;1-3H,(H2,6,9)
InChIKeyHYZVSNGXRZBGDI-UHFFFAOYSA-N
XLogP3.87
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.39
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-methyl-4-(trifluoromethyl)phenyl]-pyrazin-2-ylmethanone
CID 102752335
N-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-(2-oxopropyl)pyridine-4-carboxamide
CID 158051254
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-methylpropan-2-amine;pyrazine-2-carboxamide
CID 162622857
N-[(1R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-5-methyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 146716025
(3S)-3-amino-3-[2-fluoro-5-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-ol;hydrochloride
CID 171242854
methyl (2S)-2-(pyrazine-2-carbonylamino)-3-[4-(trifluoromethyl)phenyl]propanoate
CID 146266907
bis(pyrazine-2-carboxamide);1,2,4,5-tetrafluoro-3,6-diiodobenzene
CID 139203790
N-[(1R)-1-(2,4-difluorophenyl)ethyl]pyrazine-2-carboxamide
CID 27797325
N-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]pyrazine-2-carboxamide
CID 42945226
methyl 2-[2-fluoro-5-(trifluoromethyl)anilino]propanoate
CID 63036312
N-[[4-(trifluoromethyl)phenyl]methylideneamino]pyrazine-2-carboxamide
CID 939997
N-[(2S)-1-amino-1-oxopropan-2-yl]pyrazine-2-carboxamide
CID 130166243

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methylpropan-2-amine;pyrazine-2-carboxamide?
The IUPAC name of N-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methylpropan-2-amine;pyrazine-2-carboxamide (CID 171924517) is N-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methylpropan-2-amine;pyrazine-2-carboxamide.
What is the SMILES notation for N-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methylpropan-2-amine;pyrazine-2-carboxamide?
The canonical SMILES for N-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methylpropan-2-amine;pyrazine-2-carboxamide is CC(NC(C)(C)C)c1cc(C(F)(F)F)ccc1F.NC(=O)c1cnccn1.
What is the InChIKey of N-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methylpropan-2-amine;pyrazine-2-carboxamide?
The InChIKey is HYZVSNGXRZBGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F4N.C5H5N3O/c1-8(18-12(2,3)4)10-7-9(13(15,16)17)5-6-11(10)14;6-5(9)4-3-7-1-2-8-4/h5-8,18H,1-4H3;1-3H,(H2,6,9).
What are the key properties of N-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methylpropan-2-amine;pyrazine-2-carboxamide?
N-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methylpropan-2-amine;pyrazine-2-carboxamide has a molecular weight of 386.39 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methylpropan-2-amine;pyrazine-2-carboxamide is sourced from PubChem (CID 171924517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).