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

C12H9ClFN3O2 — CID 86787048

IUPAC3-chloro-4-fluoro-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(F)c(Cl)c2)nc(=O)[nH]1
InChIInChI=1S/C12H9ClFN3O2/c1-6-4-10(17-12(19)15-6)16-11(18)7-2-3-9(14)8(13)5-7/h2-5H,1H3,(H2,15,16,17,18,19)
InChIKeyDCUCDHSJVRBHHK-UHFFFAOYSA-N
MW281.67 g/mol
LogP2.12
Rot. Bonds2

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

3-chloro-4-fluoro-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)benzamide (PubChem CID 86787048) has the molecular formula C12H9ClFN3O2 and a molecular weight of 281.67 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)benzamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)benzamide
PubChem CID86787048
Molecular FormulaC12H9ClFN3O2
Molecular Weight281.67 g/mol
Exact Mass281.04
IUPAC Name3-chloro-4-fluoro-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(F)c(Cl)c2)nc(=O)[nH]1
InChIInChI=1S/C12H9ClFN3O2/c1-6-4-10(17-12(19)15-6)16-11(18)7-2-3-9(14)8(13)5-7/h2-5H,1H3,(H2,15,16,17,18,19)
InChIKeyDCUCDHSJVRBHHK-UHFFFAOYSA-N
XLogP2.12
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.67
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)benzamide?
The IUPAC name of 3-chloro-4-fluoro-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)benzamide (CID 86787048) is 3-chloro-4-fluoro-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)benzamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)benzamide?
The canonical SMILES for 3-chloro-4-fluoro-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)benzamide is Cc1cc(NC(=O)c2ccc(F)c(Cl)c2)nc(=O)[nH]1.
What is the InChIKey of 3-chloro-4-fluoro-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)benzamide?
The InChIKey is DCUCDHSJVRBHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3O2/c1-6-4-10(17-12(19)15-6)16-11(18)7-2-3-9(14)8(13)5-7/h2-5H,1H3,(H2,15,16,17,18,19).
What are the key properties of 3-chloro-4-fluoro-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)benzamide?
3-chloro-4-fluoro-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)benzamide has a molecular weight of 281.67 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)benzamide is sourced from PubChem (CID 86787048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).