N-[4-(2,5-difluorophenoxy)pyrimidin-2-yl]acetamide

C12H9F2N3O2 — CID 141320406

IUPACN-[4-(2,5-difluorophenoxy)pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1nccc(Oc2cc(F)ccc2F)n1
InChIInChI=1S/C12H9F2N3O2/c1-7(18)16-12-15-5-4-11(17-12)19-10-6-8(13)2-3-9(10)14/h2-6H,1H3,(H,15,16,17,18)
InChIKeyARTBHATZJKRMBE-UHFFFAOYSA-N
MW265.22 g/mol
LogP2.51
Rot. Bonds3

About N-[4-(2,5-difluorophenoxy)pyrimidin-2-yl]acetamide

N-[4-(2,5-difluorophenoxy)pyrimidin-2-yl]acetamide (PubChem CID 141320406) has the molecular formula C12H9F2N3O2 and a molecular weight of 265.22 g/mol. Its IUPAC name is N-[4-(2,5-difluorophenoxy)pyrimidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(2,5-difluorophenoxy)pyrimidin-2-yl]acetamide
PubChem CID141320406
Molecular FormulaC12H9F2N3O2
Molecular Weight265.22 g/mol
Exact Mass265.07
IUPAC NameN-[4-(2,5-difluorophenoxy)pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1nccc(Oc2cc(F)ccc2F)n1
InChIInChI=1S/C12H9F2N3O2/c1-7(18)16-12-15-5-4-11(17-12)19-10-6-8(13)2-3-9(10)14/h2-6H,1H3,(H,15,16,17,18)
InChIKeyARTBHATZJKRMBE-UHFFFAOYSA-N
XLogP2.51
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.22
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2,4-difluorophenoxy)pyrimidin-2-yl]hydrazine
CID 80917292
4-(5-bromo-2-fluorophenoxy)-N-ethylpyrimidin-2-amine
CID 114677310
N-[[2-(2,5-difluorophenoxy)-4-pyridinyl]methyl]ethanamine
CID 63272898
4-(5-bromo-2-fluorophenoxy)-N-propylpyrimidin-2-amine
CID 114677390
N-[2-(2,4-difluorophenoxy)-5-methyl-4-pyridinyl]acetamide
CID 59834294
5-amino-2-(2,5-difluorophenoxy)pyridine-4-carboxamide
CID 114090768
2-chloro-4-(2-fluoro-5-methylphenoxy)pyrimidine
CID 64854240
4-(4-amino-2-fluorophenoxy)-N-(4-fluorophenyl)pyrimidin-2-amine
CID 59852945
6-(2,5-difluorophenoxy)-2-methoxypyridin-3-amine
CID 55167550
methyl 4-(4-amino-2-fluoro-5-methylphenoxy)pyrimidine-2-carboxylate
CID 114417468
4-(4-fluorophenoxy)-N-methylpyrimidin-2-amine
CID 80869601
[4-(5-chloro-2-methylphenoxy)pyrimidin-2-yl]hydrazine
CID 80922000

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-difluorophenoxy)pyrimidin-2-yl]acetamide?
The IUPAC name of N-[4-(2,5-difluorophenoxy)pyrimidin-2-yl]acetamide (CID 141320406) is N-[4-(2,5-difluorophenoxy)pyrimidin-2-yl]acetamide.
What is the SMILES notation for N-[4-(2,5-difluorophenoxy)pyrimidin-2-yl]acetamide?
The canonical SMILES for N-[4-(2,5-difluorophenoxy)pyrimidin-2-yl]acetamide is CC(=O)Nc1nccc(Oc2cc(F)ccc2F)n1.
What is the InChIKey of N-[4-(2,5-difluorophenoxy)pyrimidin-2-yl]acetamide?
The InChIKey is ARTBHATZJKRMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N3O2/c1-7(18)16-12-15-5-4-11(17-12)19-10-6-8(13)2-3-9(10)14/h2-6H,1H3,(H,15,16,17,18).
What are the key properties of N-[4-(2,5-difluorophenoxy)pyrimidin-2-yl]acetamide?
N-[4-(2,5-difluorophenoxy)pyrimidin-2-yl]acetamide has a molecular weight of 265.22 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-difluorophenoxy)pyrimidin-2-yl]acetamide is sourced from PubChem (CID 141320406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).