N-[(5-cyclohexylpyrazin-2-yl)methyl]-2,2,2-trifluoro-N-(2-fluorophenyl)acetamide

C19H19F4N3O — CID 155590873

IUPACN-[(5-cyclohexylpyrazin-2-yl)methyl]-2,2,2-trifluoro-N-(2-fluorophenyl)acetamide
SMILESO=C(N(Cc1cnc(C2CCCCC2)cn1)c1ccccc1F)C(F)(F)F
InChIInChI=1S/C19H19F4N3O/c20-15-8-4-5-9-17(15)26(18(27)19(21,22)23)12-14-10-25-16(11-24-14)13-6-2-1-3-7-13/h4-5,8-11,13H,1-3,6-7,12H2
InChIKeyQBSIWHVQHDEMES-UHFFFAOYSA-N
MW381.37 g/mol
LogP4.76
Rot. Bonds4

About N-[(5-cyclohexylpyrazin-2-yl)methyl]-2,2,2-trifluoro-N-(2-fluorophenyl)acetamide

N-[(5-cyclohexylpyrazin-2-yl)methyl]-2,2,2-trifluoro-N-(2-fluorophenyl)acetamide (PubChem CID 155590873) has the molecular formula C19H19F4N3O and a molecular weight of 381.37 g/mol. Its IUPAC name is N-[(5-cyclohexylpyrazin-2-yl)methyl]-2,2,2-trifluoro-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(5-cyclohexylpyrazin-2-yl)methyl]-2,2,2-trifluoro-N-(2-fluorophenyl)acetamide
PubChem CID155590873
Molecular FormulaC19H19F4N3O
Molecular Weight381.37 g/mol
Exact Mass381.15
IUPAC NameN-[(5-cyclohexylpyrazin-2-yl)methyl]-2,2,2-trifluoro-N-(2-fluorophenyl)acetamide
SMILESO=C(N(Cc1cnc(C2CCCCC2)cn1)c1ccccc1F)C(F)(F)F
InChIInChI=1S/C19H19F4N3O/c20-15-8-4-5-9-17(15)26(18(27)19(21,22)23)12-14-10-25-16(11-24-14)13-6-2-1-3-7-13/h4-5,8-11,13H,1-3,6-7,12H2
InChIKeyQBSIWHVQHDEMES-UHFFFAOYSA-N
XLogP4.76
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.37
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-cyclohexyl-3-pyridinyl)methyl]-N-(2-fluorophenyl)cyclobutanecarboxamide
CID 167701360
2,2,2-trifluoro-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 108755903
N-[(5-cyclohexylpyrazin-2-yl)methyl]-N-[2-fluoro-4-(phenylmethoxycarbamoyl)phenyl]-1-(2,3,4,5,6-pentafluorophenyl)sulfonylazetidine-2-carboxamide
CID 135241896
4-[(6-cyclohexyl-3-pyridinyl)methyl-(2,2,2-trifluoroacetyl)amino]-2-phenylmethoxybenzoic acid
CID 135241722
N-[(5-cyclohexylpyrazin-2-yl)methyl]aniline
CID 155590728
4-[(5-cyclohexylpyrazin-2-yl)methyl-[(2R)-1-(2,3,5,6-tetrafluorophenyl)sulfonylazetidine-2-carbonyl]amino]-2-phenylmethoxybenzoic acid
CID 135242312
4-[(5-cyclohexylpyrazin-2-yl)methyl-[(2R)-1-(2,3,5,6-tetrafluorophenyl)sulfonylazetidine-2-carbonyl]amino]-2-hydroxybenzoic acid
CID 135242277
N-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]-N-(2-fluorophenyl)-2,2-dimethylpropanamide
CID 59542657
(2R)-1-(3-cyano-5-fluoro-4-methylphenyl)sulfonyl-N-[(5-cyclohexylpyrazin-2-yl)methyl]-N-(3-iodophenyl)azetidine-2-carboxamide
CID 167677682
(2R)-1-(3-cyano-5-fluoro-4-methylphenyl)sulfonyl-N-[(6-cyclohexyl-3-pyridinyl)methyl]-N-(2-fluorophenyl)azetidine-2-carboxamide
CID 167542516
N-[(4-cyclohexylphenyl)methyl]-2,2,2-trifluoro-N-[5-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]acetamide
CID 151614521
N-cyclohexyl-2,2,2-trifluoro-N-(2-phenylethyl)acetamide
CID 563302

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclohexylpyrazin-2-yl)methyl]-2,2,2-trifluoro-N-(2-fluorophenyl)acetamide?
The IUPAC name of N-[(5-cyclohexylpyrazin-2-yl)methyl]-2,2,2-trifluoro-N-(2-fluorophenyl)acetamide (CID 155590873) is N-[(5-cyclohexylpyrazin-2-yl)methyl]-2,2,2-trifluoro-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[(5-cyclohexylpyrazin-2-yl)methyl]-2,2,2-trifluoro-N-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[(5-cyclohexylpyrazin-2-yl)methyl]-2,2,2-trifluoro-N-(2-fluorophenyl)acetamide is O=C(N(Cc1cnc(C2CCCCC2)cn1)c1ccccc1F)C(F)(F)F.
What is the InChIKey of N-[(5-cyclohexylpyrazin-2-yl)methyl]-2,2,2-trifluoro-N-(2-fluorophenyl)acetamide?
The InChIKey is QBSIWHVQHDEMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F4N3O/c20-15-8-4-5-9-17(15)26(18(27)19(21,22)23)12-14-10-25-16(11-24-14)13-6-2-1-3-7-13/h4-5,8-11,13H,1-3,6-7,12H2.
What are the key properties of N-[(5-cyclohexylpyrazin-2-yl)methyl]-2,2,2-trifluoro-N-(2-fluorophenyl)acetamide?
N-[(5-cyclohexylpyrazin-2-yl)methyl]-2,2,2-trifluoro-N-(2-fluorophenyl)acetamide has a molecular weight of 381.37 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclohexylpyrazin-2-yl)methyl]-2,2,2-trifluoro-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 155590873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).