5-phenylmethoxy-N-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrazine-2-carboxamide

C22H20F3N3O2 — CID 155956166

IUPAC5-phenylmethoxy-N-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrazine-2-carboxamide
SMILESCC(C)(NC(=O)c1cnc(OCc2ccccc2)cn1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H20F3N3O2/c1-21(2,16-8-10-17(11-9-16)22(23,24)25)28-20(29)18-12-27-19(13-26-18)30-14-15-6-4-3-5-7-15/h3-13H,14H2,1-2H3,(H,28,29)
InChIKeySDZKRFDDBFXOKG-UHFFFAOYSA-N
MW415.42 g/mol
LogP4.74
Rot. Bonds6

About 5-phenylmethoxy-N-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrazine-2-carboxamide

5-phenylmethoxy-N-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrazine-2-carboxamide (PubChem CID 155956166) has the molecular formula C22H20F3N3O2 and a molecular weight of 415.42 g/mol. Its IUPAC name is 5-phenylmethoxy-N-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-phenylmethoxy-N-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrazine-2-carboxamide
PubChem CID155956166
Molecular FormulaC22H20F3N3O2
Molecular Weight415.42 g/mol
Exact Mass415.15
IUPAC Name5-phenylmethoxy-N-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrazine-2-carboxamide
SMILESCC(C)(NC(=O)c1cnc(OCc2ccccc2)cn1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H20F3N3O2/c1-21(2,16-8-10-17(11-9-16)22(23,24)25)28-20(29)18-12-27-19(13-26-18)30-14-15-6-4-3-5-7-15/h3-13H,14H2,1-2H3,(H,28,29)
InChIKeySDZKRFDDBFXOKG-UHFFFAOYSA-N
XLogP4.74
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-phenylmethoxy-N-[3-[3-(trifluoromethyl)phenyl]propyl]pyrazine-2-carboxamide
CID 155962309
N-(2-phenylpropan-2-yl)-4-(trifluoromethyl)benzamide
CID 113091749
N-[1-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-5-phenylmethoxypyrazine-2-carboxamide
CID 155962297
N-(4-fluoro-2-methylphenyl)-5-phenylmethoxypyrazine-2-carboxamide
CID 154863196
N-[(2-phenylmethoxy-4-pyridinyl)methyl]-4-(trifluoromethyl)benzamide
CID 46469686
N-[[4-(pentafluoro-λ6-sulfanyl)phenyl]methyl]-5-phenylmethoxypyrazine-2-carboxamide
CID 167756159
5-phenylmethoxy-N-[1-[3-(trifluoromethylsulfanyl)phenyl]ethyl]pyrazine-2-carboxamide
CID 155962292
2-phenyl-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoic acid
CID 167810033
2-phenylmethoxy-4-[4-(trifluoromethyl)phenyl]pyridine
CID 58901931
N-(2-phenylmethoxyphenyl)-4-(trifluoromethyl)benzamide
CID 141040203
5-hydrazinyl-N-(2-phenylpropan-2-yl)pyridine-2-carboxamide
CID 114264154
5-anilino-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109289577

Frequently Asked Questions

What is the IUPAC name of 5-phenylmethoxy-N-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrazine-2-carboxamide?
The IUPAC name of 5-phenylmethoxy-N-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrazine-2-carboxamide (CID 155956166) is 5-phenylmethoxy-N-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-phenylmethoxy-N-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for 5-phenylmethoxy-N-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrazine-2-carboxamide is CC(C)(NC(=O)c1cnc(OCc2ccccc2)cn1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-phenylmethoxy-N-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrazine-2-carboxamide?
The InChIKey is SDZKRFDDBFXOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O2/c1-21(2,16-8-10-17(11-9-16)22(23,24)25)28-20(29)18-12-27-19(13-26-18)30-14-15-6-4-3-5-7-15/h3-13H,14H2,1-2H3,(H,28,29).
What are the key properties of 5-phenylmethoxy-N-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrazine-2-carboxamide?
5-phenylmethoxy-N-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrazine-2-carboxamide has a molecular weight of 415.42 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylmethoxy-N-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 155956166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).