2-(2-fluorophenoxy)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide

C16H17FN4O2 — CID 122298205

IUPAC2-(2-fluorophenoxy)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide
SMILESO=C(COc1ccccc1F)Nc1cnc(N2CCCC2)nc1
InChIInChI=1S/C16H17FN4O2/c17-13-5-1-2-6-14(13)23-11-15(22)20-12-9-18-16(19-10-12)21-7-3-4-8-21/h1-2,5-6,9-10H,3-4,7-8,11H2,(H,20,22)
InChIKeyQFXXGNZNLMXRHV-UHFFFAOYSA-N
MW316.34 g/mol
LogP2.23
Rot. Bonds5

About 2-(2-fluorophenoxy)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide

2-(2-fluorophenoxy)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide (PubChem CID 122298205) has the molecular formula C16H17FN4O2 and a molecular weight of 316.34 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide
PubChem CID122298205
Molecular FormulaC16H17FN4O2
Molecular Weight316.34 g/mol
Exact Mass316.13
IUPAC Name2-(2-fluorophenoxy)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide
SMILESO=C(COc1ccccc1F)Nc1cnc(N2CCCC2)nc1
InChIInChI=1S/C16H17FN4O2/c17-13-5-1-2-6-14(13)23-11-15(22)20-12-9-18-16(19-10-12)21-7-3-4-8-21/h1-2,5-6,9-10H,3-4,7-8,11H2,(H,20,22)
InChIKeyQFXXGNZNLMXRHV-UHFFFAOYSA-N
XLogP2.23
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenoxy)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide
CID 53164713
2-(2-methoxyphenyl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide
CID 122298244
2,6-difluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53164645
2-(2-fluorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 7491916
2-(4-fluorophenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]acetamide
CID 122300013
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-(2-fluorophenoxy)acetamide
CID 7517256
N-(2,6-difluorophenyl)-2-(2-fluorophenoxy)acetamide
CID 892688
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)butanamide
CID 71789958
5-(2-fluorophenoxy)-2-piperidin-1-ylpyrimidine
CID 161189658
2-(2-fluorophenoxy)-N-(5-phenyl-3-pyridinyl)acetamide
CID 110713734
2-(2,4-difluorophenoxy)-N-(2-piperidin-1-ylphenyl)acetamide
CID 31887225
N-[2-(azepan-1-yl)pyrimidin-5-yl]butanamide
CID 53164766

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide (CID 122298205) is 2-(2-fluorophenoxy)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide is O=C(COc1ccccc1F)Nc1cnc(N2CCCC2)nc1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide?
The InChIKey is QFXXGNZNLMXRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2/c17-13-5-1-2-6-14(13)23-11-15(22)20-12-9-18-16(19-10-12)21-7-3-4-8-21/h1-2,5-6,9-10H,3-4,7-8,11H2,(H,20,22).
What are the key properties of 2-(2-fluorophenoxy)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide?
2-(2-fluorophenoxy)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide has a molecular weight of 316.34 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide is sourced from PubChem (CID 122298205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).