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

C12H9ClFN3O3 — CID 67177117

IUPAC2-chloro-5-fluoro-N-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)benzamide
SMILESCc1nc(O)c(NC(=O)c2cc(F)ccc2Cl)c(=O)[nH]1
InChIInChI=1S/C12H9ClFN3O3/c1-5-15-11(19)9(12(20)16-5)17-10(18)7-4-6(14)2-3-8(7)13/h2-4H,1H3,(H,17,18)(H2,15,16,19,20)
InChIKeyOHZFXPPWJWZDKY-UHFFFAOYSA-N
MW297.67 g/mol
LogP1.83
Rot. Bonds2

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

2-chloro-5-fluoro-N-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)benzamide (PubChem CID 67177117) has the molecular formula C12H9ClFN3O3 and a molecular weight of 297.67 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)benzamide.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)benzamide
PubChem CID67177117
Molecular FormulaC12H9ClFN3O3
Molecular Weight297.67 g/mol
Exact Mass297.03
IUPAC Name2-chloro-5-fluoro-N-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)benzamide
SMILESCc1nc(O)c(NC(=O)c2cc(F)ccc2Cl)c(=O)[nH]1
InChIInChI=1S/C12H9ClFN3O3/c1-5-15-11(19)9(12(20)16-5)17-10(18)7-4-6(14)2-3-8(7)13/h2-4H,1H3,(H,17,18)(H2,15,16,19,20)
InChIKeyOHZFXPPWJWZDKY-UHFFFAOYSA-N
XLogP1.83
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.67
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)benzamide?
The IUPAC name of 2-chloro-5-fluoro-N-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)benzamide (CID 67177117) is 2-chloro-5-fluoro-N-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)benzamide.
What is the SMILES notation for 2-chloro-5-fluoro-N-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)benzamide?
The canonical SMILES for 2-chloro-5-fluoro-N-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)benzamide is Cc1nc(O)c(NC(=O)c2cc(F)ccc2Cl)c(=O)[nH]1.
What is the InChIKey of 2-chloro-5-fluoro-N-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)benzamide?
The InChIKey is OHZFXPPWJWZDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3O3/c1-5-15-11(19)9(12(20)16-5)17-10(18)7-4-6(14)2-3-8(7)13/h2-4H,1H3,(H,17,18)(H2,15,16,19,20).
What are the key properties of 2-chloro-5-fluoro-N-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)benzamide?
2-chloro-5-fluoro-N-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)benzamide has a molecular weight of 297.67 g/mol, XLogP of 1.83, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)benzamide is sourced from PubChem (CID 67177117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).