N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-phenylbutanamide

C21H20FN3O — CID 122262795

IUPACN-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-phenylbutanamide
SMILESCCC(C(=O)NCc1cc(-c2ccc(F)cc2)ncn1)c1ccccc1
InChIInChI=1S/C21H20FN3O/c1-2-19(15-6-4-3-5-7-15)21(26)23-13-18-12-20(25-14-24-18)16-8-10-17(22)11-9-16/h3-12,14,19H,2,13H2,1H3,(H,23,26)
InChIKeyZUMYDUKWINIZJK-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.09
Rot. Bonds6

About N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-phenylbutanamide

N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-phenylbutanamide (PubChem CID 122262795) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-phenylbutanamide
PubChem CID122262795
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC NameN-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-phenylbutanamide
SMILESCCC(C(=O)NCc1cc(-c2ccc(F)cc2)ncn1)c1ccccc1
InChIInChI=1S/C21H20FN3O/c1-2-19(15-6-4-3-5-7-15)21(26)23-13-18-12-20(25-14-24-18)16-8-10-17(22)11-9-16/h3-12,14,19H,2,13H2,1H3,(H,23,26)
InChIKeyZUMYDUKWINIZJK-UHFFFAOYSA-N
XLogP4.09
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-methylpropanamide
CID 122262814
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-phenylbutanamide
CID 90547365
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 122262877
2-bromo-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]benzamide
CID 122262955
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 122262849
2-(2,4-difluorophenyl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122262058
N-[3-(4-fluorophenyl)prop-2-ynyl]-2-phenylbutanamide
CID 90548192
(E)-3-(4-fluorophenyl)-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]prop-2-enamide
CID 122262836
3-[2-(4-fluorophenyl)butanoylamino]-2-phenylpropanoic acid
CID 120528828
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(4-methoxyphenoxy)acetamide
CID 122262823
1-(2-ethoxyphenyl)-3-[(6-phenylpyrimidin-4-yl)methyl]urea
CID 122262121
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(3-methylphenoxy)acetamide
CID 122262878

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-phenylbutanamide?
The IUPAC name of N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-phenylbutanamide (CID 122262795) is N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-phenylbutanamide.
What is the SMILES notation for N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-phenylbutanamide?
The canonical SMILES for N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-phenylbutanamide is CCC(C(=O)NCc1cc(-c2ccc(F)cc2)ncn1)c1ccccc1.
What is the InChIKey of N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-phenylbutanamide?
The InChIKey is ZUMYDUKWINIZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c1-2-19(15-6-4-3-5-7-15)21(26)23-13-18-12-20(25-14-24-18)16-8-10-17(22)11-9-16/h3-12,14,19H,2,13H2,1H3,(H,23,26).
What are the key properties of N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-phenylbutanamide?
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-phenylbutanamide has a molecular weight of 349.41 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-phenylbutanamide is sourced from PubChem (CID 122262795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).