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

C20H18FN3O3 — CID 122262823

IUPACN-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)NCc2cc(-c3ccc(F)cc3)ncn2)cc1
InChIInChI=1S/C20H18FN3O3/c1-26-17-6-8-18(9-7-17)27-12-20(25)22-11-16-10-19(24-13-23-16)14-2-4-15(21)5-3-14/h2-10,13H,11-12H2,1H3,(H,22,25)
InChIKeySGXWFGZRFMFDSR-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.99
Rot. Bonds7

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

N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(4-methoxyphenoxy)acetamide (PubChem CID 122262823) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(4-methoxyphenoxy)acetamide
PubChem CID122262823
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC NameN-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)NCc2cc(-c3ccc(F)cc3)ncn2)cc1
InChIInChI=1S/C20H18FN3O3/c1-26-17-6-8-18(9-7-17)27-12-20(25)22-11-16-10-19(24-13-23-16)14-2-4-15(21)5-3-14/h2-10,13H,11-12H2,1H3,(H,22,25)
InChIKeySGXWFGZRFMFDSR-UHFFFAOYSA-N
XLogP2.99
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide
CID 122262243
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 122262849
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 122262877
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]propanamide
CID 122262240
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(3-methylphenoxy)acetamide
CID 122262878
2-acetamido-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide
CID 122262517
2-(1,3-benzodioxol-5-yloxy)-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]acetamide
CID 122262846
2-(4-methoxyphenyl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122261746
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-2-pyridin-4-ylsulfanylacetamide
CID 122262505
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-3,5-dimethylbenzamide
CID 122262330
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-methylpropanamide
CID 122262814
1-(2-methoxyphenyl)-3-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]urea
CID 122262605

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(4-methoxyphenoxy)acetamide (CID 122262823) is N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(4-methoxyphenoxy)acetamide is COc1ccc(OCC(=O)NCc2cc(-c3ccc(F)cc3)ncn2)cc1.
What is the InChIKey of N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(4-methoxyphenoxy)acetamide?
The InChIKey is SGXWFGZRFMFDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-26-17-6-8-18(9-7-17)27-12-20(25)22-11-16-10-19(24-13-23-16)14-2-4-15(21)5-3-14/h2-10,13H,11-12H2,1H3,(H,22,25).
What are the key properties of N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(4-methoxyphenoxy)acetamide?
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(4-methoxyphenoxy)acetamide has a molecular weight of 367.38 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 122262823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).