N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide

C22H22FN3O2 — CID 122262849

IUPACN-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)NCc2cc(-c3ccc(F)cc3)ncn2)cc1
InChIInChI=1S/C22H22FN3O2/c1-15(2)16-5-9-20(10-6-16)28-13-22(27)24-12-19-11-21(26-14-25-19)17-3-7-18(23)8-4-17/h3-11,14-15H,12-13H2,1-2H3,(H,24,27)
InChIKeyFDHAKSCACILWAH-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.10
Rot. Bonds7

About N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide

N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 122262849) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID122262849
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC NameN-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)NCc2cc(-c3ccc(F)cc3)ncn2)cc1
InChIInChI=1S/C22H22FN3O2/c1-15(2)16-5-9-20(10-6-16)28-13-22(27)24-12-19-11-21(26-14-25-19)17-3-7-18(23)8-4-17/h3-11,14-15H,12-13H2,1-2H3,(H,24,27)
InChIKeyFDHAKSCACILWAH-UHFFFAOYSA-N
XLogP4.10
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(4-methoxyphenoxy)acetamide
CID 122262823
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(3-methylphenoxy)acetamide
CID 122262878
2-(1,3-benzodioxol-5-yloxy)-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]acetamide
CID 122262846
2-(4-fluorophenyl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide
CID 122262243
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 122262877
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-methylpropanamide
CID 122262814
2-(4-fluorophenoxy)-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 110279770
N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 16866668
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]propanamide
CID 122262240
2-(2-fluorophenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122261805
N-[(2S)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 39835204
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-phenylbutanamide
CID 122262795

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide (CID 122262849) is N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide is CC(C)c1ccc(OCC(=O)NCc2cc(-c3ccc(F)cc3)ncn2)cc1.
What is the InChIKey of N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is FDHAKSCACILWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-15(2)16-5-9-20(10-6-16)28-13-22(27)24-12-19-11-21(26-14-25-19)17-3-7-18(23)8-4-17/h3-11,14-15H,12-13H2,1-2H3,(H,24,27).
What are the key properties of N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide?
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 379.44 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 122262849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).