N-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-N-(4-phenoxypyrimidin-5-yl)acetamide

C21H20FN3O4 — CID 70682573

IUPACN-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-N-(4-phenoxypyrimidin-5-yl)acetamide
SMILESCOc1ccc(OC)c(CN(C(=O)CF)c2cncnc2Oc2ccccc2)c1
InChIInChI=1S/C21H20FN3O4/c1-27-17-8-9-19(28-2)15(10-17)13-25(20(26)11-22)18-12-23-14-24-21(18)29-16-6-4-3-5-7-16/h3-10,12,14H,11,13H2,1-2H3
InChIKeyZOEFNTRMPQLMLK-UHFFFAOYSA-N
MW397.41 g/mol
LogP3.79
Rot. Bonds8

About N-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-N-(4-phenoxypyrimidin-5-yl)acetamide

N-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-N-(4-phenoxypyrimidin-5-yl)acetamide (PubChem CID 70682573) has the molecular formula C21H20FN3O4 and a molecular weight of 397.41 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-N-(4-phenoxypyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-N-(4-phenoxypyrimidin-5-yl)acetamide
PubChem CID70682573
Molecular FormulaC21H20FN3O4
Molecular Weight397.41 g/mol
Exact Mass397.14
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-N-(4-phenoxypyrimidin-5-yl)acetamide
SMILESCOc1ccc(OC)c(CN(C(=O)CF)c2cncnc2Oc2ccccc2)c1
InChIInChI=1S/C21H20FN3O4/c1-27-17-8-9-19(28-2)15(10-17)13-25(20(26)11-22)18-12-23-14-24-21(18)29-16-6-4-3-5-7-16/h3-10,12,14H,11,13H2,1-2H3
InChIKeyZOEFNTRMPQLMLK-UHFFFAOYSA-N
XLogP3.79
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-N-(4-phenoxypyrimidin-5-yl)acetamide?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-N-(4-phenoxypyrimidin-5-yl)acetamide (CID 70682573) is N-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-N-(4-phenoxypyrimidin-5-yl)acetamide.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-N-(4-phenoxypyrimidin-5-yl)acetamide?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-N-(4-phenoxypyrimidin-5-yl)acetamide is COc1ccc(OC)c(CN(C(=O)CF)c2cncnc2Oc2ccccc2)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-N-(4-phenoxypyrimidin-5-yl)acetamide?
The InChIKey is ZOEFNTRMPQLMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O4/c1-27-17-8-9-19(28-2)15(10-17)13-25(20(26)11-22)18-12-23-14-24-21(18)29-16-6-4-3-5-7-16/h3-10,12,14H,11,13H2,1-2H3.
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-N-(4-phenoxypyrimidin-5-yl)acetamide?
N-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-N-(4-phenoxypyrimidin-5-yl)acetamide has a molecular weight of 397.41 g/mol, XLogP of 3.79, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-N-(4-phenoxypyrimidin-5-yl)acetamide is sourced from PubChem (CID 70682573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).