2-(4-fluorophenyl)-N-(4-methylpyrimidin-2-yl)acetamide

C13H12FN3O — CID 1094216

IUPAC2-(4-fluorophenyl)-N-(4-methylpyrimidin-2-yl)acetamide
SMILESCc1ccnc(NC(=O)Cc2ccc(F)cc2)n1
InChIInChI=1S/C13H12FN3O/c1-9-6-7-15-13(16-9)17-12(18)8-10-2-4-11(14)5-3-10/h2-7H,8H2,1H3,(H,15,16,17,18)
InChIKeyYGOUMUOYEATILN-UHFFFAOYSA-N
MW245.26 g/mol
LogP2.11
Rot. Bonds3

About 2-(4-fluorophenyl)-N-(4-methylpyrimidin-2-yl)acetamide

2-(4-fluorophenyl)-N-(4-methylpyrimidin-2-yl)acetamide (PubChem CID 1094216) has the molecular formula C13H12FN3O and a molecular weight of 245.26 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(4-methylpyrimidin-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(4-methylpyrimidin-2-yl)acetamide
PubChem CID1094216
Molecular FormulaC13H12FN3O
Molecular Weight245.26 g/mol
Exact Mass245.10
IUPAC Name2-(4-fluorophenyl)-N-(4-methylpyrimidin-2-yl)acetamide
SMILESCc1ccnc(NC(=O)Cc2ccc(F)cc2)n1
InChIInChI=1S/C13H12FN3O/c1-9-6-7-15-13(16-9)17-12(18)8-10-2-4-11(14)5-3-10/h2-7H,8H2,1H3,(H,15,16,17,18)
InChIKeyYGOUMUOYEATILN-UHFFFAOYSA-N
XLogP2.11
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(4-methylpyrimidin-2-yl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(4-methylpyrimidin-2-yl)acetamide (CID 1094216) is 2-(4-fluorophenyl)-N-(4-methylpyrimidin-2-yl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(4-methylpyrimidin-2-yl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(4-methylpyrimidin-2-yl)acetamide is Cc1ccnc(NC(=O)Cc2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(4-methylpyrimidin-2-yl)acetamide?
The InChIKey is YGOUMUOYEATILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O/c1-9-6-7-15-13(16-9)17-12(18)8-10-2-4-11(14)5-3-10/h2-7H,8H2,1H3,(H,15,16,17,18).
What are the key properties of 2-(4-fluorophenyl)-N-(4-methylpyrimidin-2-yl)acetamide?
2-(4-fluorophenyl)-N-(4-methylpyrimidin-2-yl)acetamide has a molecular weight of 245.26 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(4-methylpyrimidin-2-yl)acetamide is sourced from PubChem (CID 1094216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).