N-(2,4-dichlorophenyl)-2-[1-(4-fluorophenyl)-4-hydroxy-5-methyl-6-oxopyrimidin-2-yl]sulfanylacetamide

C19H14Cl2FN3O3S — CID 135419170

IUPACN-(2,4-dichlorophenyl)-2-[1-(4-fluorophenyl)-4-hydroxy-5-methyl-6-oxopyrimidin-2-yl]sulfanylacetamide
SMILESCc1c(O)nc(SCC(=O)Nc2ccc(Cl)cc2Cl)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C19H14Cl2FN3O3S/c1-10-17(27)24-19(25(18(10)28)13-5-3-12(22)4-6-13)29-9-16(26)23-15-7-2-11(20)8-14(15)21/h2-8,27H,9H2,1H3,(H,23,26)
InChIKeyJSOALAMQYKLFOG-UHFFFAOYSA-N
MW454.31 g/mol
LogP4.42
Rot. Bonds5

About N-(2,4-dichlorophenyl)-2-[1-(4-fluorophenyl)-4-hydroxy-5-methyl-6-oxopyrimidin-2-yl]sulfanylacetamide

N-(2,4-dichlorophenyl)-2-[1-(4-fluorophenyl)-4-hydroxy-5-methyl-6-oxopyrimidin-2-yl]sulfanylacetamide (PubChem CID 135419170) has the molecular formula C19H14Cl2FN3O3S and a molecular weight of 454.31 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-[1-(4-fluorophenyl)-4-hydroxy-5-methyl-6-oxopyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-[1-(4-fluorophenyl)-4-hydroxy-5-methyl-6-oxopyrimidin-2-yl]sulfanylacetamide
PubChem CID135419170
Molecular FormulaC19H14Cl2FN3O3S
Molecular Weight454.31 g/mol
Exact Mass453.01
IUPAC NameN-(2,4-dichlorophenyl)-2-[1-(4-fluorophenyl)-4-hydroxy-5-methyl-6-oxopyrimidin-2-yl]sulfanylacetamide
SMILESCc1c(O)nc(SCC(=O)Nc2ccc(Cl)cc2Cl)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C19H14Cl2FN3O3S/c1-10-17(27)24-19(25(18(10)28)13-5-3-12(22)4-6-13)29-9-16(26)23-15-7-2-11(20)8-14(15)21/h2-8,27H,9H2,1H3,(H,23,26)
InChIKeyJSOALAMQYKLFOG-UHFFFAOYSA-N
XLogP4.42
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.31
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-[1-(4-fluorophenyl)-4-hydroxy-5-methyl-6-oxopyrimidin-2-yl]sulfanylacetamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-[1-(4-fluorophenyl)-4-hydroxy-5-methyl-6-oxopyrimidin-2-yl]sulfanylacetamide (CID 135419170) is N-(2,4-dichlorophenyl)-2-[1-(4-fluorophenyl)-4-hydroxy-5-methyl-6-oxopyrimidin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-[1-(4-fluorophenyl)-4-hydroxy-5-methyl-6-oxopyrimidin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-[1-(4-fluorophenyl)-4-hydroxy-5-methyl-6-oxopyrimidin-2-yl]sulfanylacetamide is Cc1c(O)nc(SCC(=O)Nc2ccc(Cl)cc2Cl)n(-c2ccc(F)cc2)c1=O.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-[1-(4-fluorophenyl)-4-hydroxy-5-methyl-6-oxopyrimidin-2-yl]sulfanylacetamide?
The InChIKey is JSOALAMQYKLFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2FN3O3S/c1-10-17(27)24-19(25(18(10)28)13-5-3-12(22)4-6-13)29-9-16(26)23-15-7-2-11(20)8-14(15)21/h2-8,27H,9H2,1H3,(H,23,26).
What are the key properties of N-(2,4-dichlorophenyl)-2-[1-(4-fluorophenyl)-4-hydroxy-5-methyl-6-oxopyrimidin-2-yl]sulfanylacetamide?
N-(2,4-dichlorophenyl)-2-[1-(4-fluorophenyl)-4-hydroxy-5-methyl-6-oxopyrimidin-2-yl]sulfanylacetamide has a molecular weight of 454.31 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-[1-(4-fluorophenyl)-4-hydroxy-5-methyl-6-oxopyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 135419170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).