2-[4-(4-fluorophenoxy)phenyl]-N-(2-methylsulfanylpyrimidin-4-yl)acetamide

C19H16FN3O2S — CID 19423470

IUPAC2-[4-(4-fluorophenoxy)phenyl]-N-(2-methylsulfanylpyrimidin-4-yl)acetamide
SMILESCSc1nccc(NC(=O)Cc2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C19H16FN3O2S/c1-26-19-21-11-10-17(23-19)22-18(24)12-13-2-6-15(7-3-13)25-16-8-4-14(20)5-9-16/h2-11H,12H2,1H3,(H,21,22,23,24)
InChIKeyVRXXTIRNVBKIFS-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.31
Rot. Bonds6

About 2-[4-(4-fluorophenoxy)phenyl]-N-(2-methylsulfanylpyrimidin-4-yl)acetamide

2-[4-(4-fluorophenoxy)phenyl]-N-(2-methylsulfanylpyrimidin-4-yl)acetamide (PubChem CID 19423470) has the molecular formula C19H16FN3O2S and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-[4-(4-fluorophenoxy)phenyl]-N-(2-methylsulfanylpyrimidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenoxy)phenyl]-N-(2-methylsulfanylpyrimidin-4-yl)acetamide
PubChem CID19423470
Molecular FormulaC19H16FN3O2S
Molecular Weight369.42 g/mol
Exact Mass369.09
IUPAC Name2-[4-(4-fluorophenoxy)phenyl]-N-(2-methylsulfanylpyrimidin-4-yl)acetamide
SMILESCSc1nccc(NC(=O)Cc2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C19H16FN3O2S/c1-26-19-21-11-10-17(23-19)22-18(24)12-13-2-6-15(7-3-13)25-16-8-4-14(20)5-9-16/h2-11H,12H2,1H3,(H,21,22,23,24)
InChIKeyVRXXTIRNVBKIFS-UHFFFAOYSA-N
XLogP4.31
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloropyrimidin-4-yl)-2-[4-(4-fluorophenoxy)phenyl]acetamide
CID 19423455
N-(2-methylpyrimidin-4-yl)-2-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 67743465
N-(4-ethoxyphenyl)-2-(4-fluorophenyl)acetamide
CID 2289388
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[[4-(4-fluorophenoxy)phenyl]methyl]propanamide
CID 18281225
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 108538633
N-[6-(4-ethoxyanilino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113019688
2-(4-fluorophenyl)-N-(2-methoxypyrimidin-5-yl)acetamide
CID 71799750
N-[[4-[(2-amino-4-pyridinyl)oxy]-2-chlorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
CID 25195958
N-[[4-[(2-amino-4-pyridinyl)oxy]-2-methoxyphenyl]carbamothioyl]-2-(4-fluorophenyl)acetamide
CID 59011630
N-[[4-[[2-[[2-(dimethylamino)acetyl]amino]-4-pyridinyl]oxy]-2-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
CID 59011619
2-(4-fluorophenyl)-N-(1-methylimidazol-2-yl)acetamide
CID 110472886
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 2713156

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenoxy)phenyl]-N-(2-methylsulfanylpyrimidin-4-yl)acetamide?
The IUPAC name of 2-[4-(4-fluorophenoxy)phenyl]-N-(2-methylsulfanylpyrimidin-4-yl)acetamide (CID 19423470) is 2-[4-(4-fluorophenoxy)phenyl]-N-(2-methylsulfanylpyrimidin-4-yl)acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenoxy)phenyl]-N-(2-methylsulfanylpyrimidin-4-yl)acetamide?
The canonical SMILES for 2-[4-(4-fluorophenoxy)phenyl]-N-(2-methylsulfanylpyrimidin-4-yl)acetamide is CSc1nccc(NC(=O)Cc2ccc(Oc3ccc(F)cc3)cc2)n1.
What is the InChIKey of 2-[4-(4-fluorophenoxy)phenyl]-N-(2-methylsulfanylpyrimidin-4-yl)acetamide?
The InChIKey is VRXXTIRNVBKIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2S/c1-26-19-21-11-10-17(23-19)22-18(24)12-13-2-6-15(7-3-13)25-16-8-4-14(20)5-9-16/h2-11H,12H2,1H3,(H,21,22,23,24).
What are the key properties of 2-[4-(4-fluorophenoxy)phenyl]-N-(2-methylsulfanylpyrimidin-4-yl)acetamide?
2-[4-(4-fluorophenoxy)phenyl]-N-(2-methylsulfanylpyrimidin-4-yl)acetamide has a molecular weight of 369.42 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenoxy)phenyl]-N-(2-methylsulfanylpyrimidin-4-yl)acetamide is sourced from PubChem (CID 19423470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).