2-(4-fluorophenyl)-N-(2-methoxypyrimidin-5-yl)acetamide

C13H12FN3O2 — CID 71799750

IUPAC2-(4-fluorophenyl)-N-(2-methoxypyrimidin-5-yl)acetamide
SMILESCOc1ncc(NC(=O)Cc2ccc(F)cc2)cn1
InChIInChI=1S/C13H12FN3O2/c1-19-13-15-7-11(8-16-13)17-12(18)6-9-2-4-10(14)5-3-9/h2-5,7-8H,6H2,1H3,(H,17,18)
InChIKeyVLWVZCMQXXJGLS-UHFFFAOYSA-N
MW261.26 g/mol
LogP1.81
Rot. Bonds4

About 2-(4-fluorophenyl)-N-(2-methoxypyrimidin-5-yl)acetamide

2-(4-fluorophenyl)-N-(2-methoxypyrimidin-5-yl)acetamide (PubChem CID 71799750) has the molecular formula C13H12FN3O2 and a molecular weight of 261.26 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(2-methoxypyrimidin-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(2-methoxypyrimidin-5-yl)acetamide
PubChem CID71799750
Molecular FormulaC13H12FN3O2
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC Name2-(4-fluorophenyl)-N-(2-methoxypyrimidin-5-yl)acetamide
SMILESCOc1ncc(NC(=O)Cc2ccc(F)cc2)cn1
InChIInChI=1S/C13H12FN3O2/c1-19-13-15-7-11(8-16-13)17-12(18)6-9-2-4-10(14)5-3-9/h2-5,7-8H,6H2,1H3,(H,17,18)
InChIKeyVLWVZCMQXXJGLS-UHFFFAOYSA-N
XLogP1.81
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxypyrimidin-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 122301631
2-(1H-indol-3-yl)-N-(2-methoxypyrimidin-5-yl)acetamide
CID 71799748
N-(4-fluorophenyl)-2-(4-methylphenyl)acetamide
CID 889367
2-(4-fluorophenyl)-N-[6-(2-methoxyethylamino)-3-pyridinyl]acetamide
CID 113010349
1-(4-ethylphenyl)-3-(2-methoxypyrimidin-5-yl)urea
CID 91968447
N-(4-ethoxyphenyl)-2-(4-fluorophenyl)acetamide
CID 2289388
2-(4-fluorophenyl)-N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]acetamide
CID 113027342
2-(4-fluorophenyl)-N-(2-methoxy-3-pyridinyl)acetamide
CID 47043618
N-[6-(tert-butylamino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113014791
2-(4-fluorophenyl)-N-[5-(propylamino)-2-pyridinyl]acetamide
CID 113023449
N-[6-(4-ethoxyanilino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113019688
2-(4-fluorophenyl)-N-[4-[(2-methoxyphenyl)methylamino]phenyl]acetamide
CID 112982646

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(2-methoxypyrimidin-5-yl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(2-methoxypyrimidin-5-yl)acetamide (CID 71799750) is 2-(4-fluorophenyl)-N-(2-methoxypyrimidin-5-yl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(2-methoxypyrimidin-5-yl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(2-methoxypyrimidin-5-yl)acetamide is COc1ncc(NC(=O)Cc2ccc(F)cc2)cn1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(2-methoxypyrimidin-5-yl)acetamide?
The InChIKey is VLWVZCMQXXJGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2/c1-19-13-15-7-11(8-16-13)17-12(18)6-9-2-4-10(14)5-3-9/h2-5,7-8H,6H2,1H3,(H,17,18).
What are the key properties of 2-(4-fluorophenyl)-N-(2-methoxypyrimidin-5-yl)acetamide?
2-(4-fluorophenyl)-N-(2-methoxypyrimidin-5-yl)acetamide has a molecular weight of 261.26 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(2-methoxypyrimidin-5-yl)acetamide is sourced from PubChem (CID 71799750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).