N-(3-chloro-4-fluorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide

C15H15ClFN3O3S — CID 135623265

IUPACN-(3-chloro-4-fluorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide
SMILESCCCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nc(O)cc1=O
InChIInChI=1S/C15H15ClFN3O3S/c1-2-5-20-14(23)7-12(21)19-15(20)24-8-13(22)18-9-3-4-11(17)10(16)6-9/h3-4,6-7,21H,2,5,8H2,1H3,(H,18,22)
InChIKeyXCIADWJICXZKIG-UHFFFAOYSA-N
MW371.82 g/mol
LogP2.88
Rot. Bonds6

About N-(3-chloro-4-fluorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide

N-(3-chloro-4-fluorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 135623265) has the molecular formula C15H15ClFN3O3S and a molecular weight of 371.82 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide
PubChem CID135623265
Molecular FormulaC15H15ClFN3O3S
Molecular Weight371.82 g/mol
Exact Mass371.05
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide
SMILESCCCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nc(O)cc1=O
InChIInChI=1S/C15H15ClFN3O3S/c1-2-5-20-14(23)7-12(21)19-15(20)24-8-13(22)18-9-3-4-11(17)10(16)6-9/h3-4,6-7,21H,2,5,8H2,1H3,(H,18,22)
InChIKeyXCIADWJICXZKIG-UHFFFAOYSA-N
XLogP2.88
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide (CID 135623265) is N-(3-chloro-4-fluorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide is CCCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nc(O)cc1=O.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is XCIADWJICXZKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O3S/c1-2-5-20-14(23)7-12(21)19-15(20)24-8-13(22)18-9-3-4-11(17)10(16)6-9/h3-4,6-7,21H,2,5,8H2,1H3,(H,18,22).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide?
N-(3-chloro-4-fluorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 371.82 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 135623265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).