2-(4-fluorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]acetamide

C17H19FN4O2 — CID 72718106

IUPAC2-(4-fluorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NCc1nccc(N2CCOCC2)n1
InChIInChI=1S/C17H19FN4O2/c18-14-3-1-13(2-4-14)11-17(23)20-12-15-19-6-5-16(21-15)22-7-9-24-10-8-22/h1-6H,7-12H2,(H,20,23)
InChIKeyIBEDSOIRGTXTFH-UHFFFAOYSA-N
MW330.36 g/mol
LogP1.31
Rot. Bonds5

About 2-(4-fluorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]acetamide

2-(4-fluorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]acetamide (PubChem CID 72718106) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]acetamide
PubChem CID72718106
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name2-(4-fluorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NCc1nccc(N2CCOCC2)n1
InChIInChI=1S/C17H19FN4O2/c18-14-3-1-13(2-4-14)11-17(23)20-12-15-19-6-5-16(21-15)22-7-9-24-10-8-22/h1-6H,7-12H2,(H,20,23)
InChIKeyIBEDSOIRGTXTFH-UHFFFAOYSA-N
XLogP1.31
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-fluorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]acetamide (CID 72718106) is 2-(4-fluorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]acetamide is O=C(Cc1ccc(F)cc1)NCc1nccc(N2CCOCC2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]acetamide?
The InChIKey is IBEDSOIRGTXTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c18-14-3-1-13(2-4-14)11-17(23)20-12-15-19-6-5-16(21-15)22-7-9-24-10-8-22/h1-6H,7-12H2,(H,20,23).
What are the key properties of 2-(4-fluorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]acetamide?
2-(4-fluorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]acetamide has a molecular weight of 330.36 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]acetamide is sourced from PubChem (CID 72718106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).