4-fluoro-N-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)benzamide

C12H10FN3O3 — CID 66758560

IUPAC4-fluoro-N-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)benzamide
SMILESCc1nc(O)c(NC(=O)c2ccc(F)cc2)c(=O)[nH]1
InChIInChI=1S/C12H10FN3O3/c1-6-14-11(18)9(12(19)15-6)16-10(17)7-2-4-8(13)5-3-7/h2-5H,1H3,(H,16,17)(H2,14,15,18,19)
InChIKeyMTFGZYIESVROQD-UHFFFAOYSA-N
MW263.23 g/mol
LogP1.18
Rot. Bonds2

About 4-fluoro-N-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)benzamide

4-fluoro-N-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)benzamide (PubChem CID 66758560) has the molecular formula C12H10FN3O3 and a molecular weight of 263.23 g/mol. Its IUPAC name is 4-fluoro-N-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)benzamide
PubChem CID66758560
Molecular FormulaC12H10FN3O3
Molecular Weight263.23 g/mol
Exact Mass263.07
IUPAC Name4-fluoro-N-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)benzamide
SMILESCc1nc(O)c(NC(=O)c2ccc(F)cc2)c(=O)[nH]1
InChIInChI=1S/C12H10FN3O3/c1-6-14-11(18)9(12(19)15-6)16-10(17)7-2-4-8(13)5-3-7/h2-5H,1H3,(H,16,17)(H2,14,15,18,19)
InChIKeyMTFGZYIESVROQD-UHFFFAOYSA-N
XLogP1.18
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)benzamide?
The IUPAC name of 4-fluoro-N-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)benzamide (CID 66758560) is 4-fluoro-N-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)benzamide is Cc1nc(O)c(NC(=O)c2ccc(F)cc2)c(=O)[nH]1.
What is the InChIKey of 4-fluoro-N-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)benzamide?
The InChIKey is MTFGZYIESVROQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O3/c1-6-14-11(18)9(12(19)15-6)16-10(17)7-2-4-8(13)5-3-7/h2-5H,1H3,(H,16,17)(H2,14,15,18,19).
What are the key properties of 4-fluoro-N-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)benzamide?
4-fluoro-N-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)benzamide has a molecular weight of 263.23 g/mol, XLogP of 1.18, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)benzamide is sourced from PubChem (CID 66758560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).