4-fluoro-3-methyl-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)benzamide

C13H12FN3O2 — CID 75453619

IUPAC4-fluoro-3-methyl-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(F)c(C)c2)nc(=O)[nH]1
InChIInChI=1S/C13H12FN3O2/c1-7-5-9(3-4-10(7)14)12(18)16-11-6-8(2)15-13(19)17-11/h3-6H,1-2H3,(H2,15,16,17,18,19)
InChIKeyZLFMOABFRAKMNO-UHFFFAOYSA-N
MW261.26 g/mol
LogP1.78
Rot. Bonds2

About 4-fluoro-3-methyl-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)benzamide

4-fluoro-3-methyl-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)benzamide (PubChem CID 75453619) has the molecular formula C13H12FN3O2 and a molecular weight of 261.26 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)benzamide
PubChem CID75453619
Molecular FormulaC13H12FN3O2
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC Name4-fluoro-3-methyl-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(F)c(C)c2)nc(=O)[nH]1
InChIInChI=1S/C13H12FN3O2/c1-7-5-9(3-4-10(7)14)12(18)16-11-6-8(2)15-13(19)17-11/h3-6H,1-2H3,(H2,15,16,17,18,19)
InChIKeyZLFMOABFRAKMNO-UHFFFAOYSA-N
XLogP1.78
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)benzamide?
The IUPAC name of 4-fluoro-3-methyl-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)benzamide (CID 75453619) is 4-fluoro-3-methyl-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)benzamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)benzamide?
The canonical SMILES for 4-fluoro-3-methyl-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)benzamide is Cc1cc(NC(=O)c2ccc(F)c(C)c2)nc(=O)[nH]1.
What is the InChIKey of 4-fluoro-3-methyl-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)benzamide?
The InChIKey is ZLFMOABFRAKMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2/c1-7-5-9(3-4-10(7)14)12(18)16-11-6-8(2)15-13(19)17-11/h3-6H,1-2H3,(H2,15,16,17,18,19).
What are the key properties of 4-fluoro-3-methyl-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)benzamide?
4-fluoro-3-methyl-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)benzamide has a molecular weight of 261.26 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)benzamide is sourced from PubChem (CID 75453619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).