N-(3-chloro-4-fluorophenyl)-2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide

C21H18ClF2N3O3 — CID 91912022

IUPACN-(3-chloro-4-fluorophenyl)-2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
SMILESCc1nc(-c2ccc(F)cc2)n(CC(=O)Nc2ccc(F)c(Cl)c2)c(=O)c1CCO
InChIInChI=1S/C21H18ClF2N3O3/c1-12-16(8-9-28)21(30)27(20(25-12)13-2-4-14(23)5-3-13)11-19(29)26-15-6-7-18(24)17(22)10-15/h2-7,10,28H,8-9,11H2,1H3,(H,26,29)
InChIKeyTZUIISBUOHABRT-UHFFFAOYSA-N
MW433.84 g/mol
LogP3.32
Rot. Bonds6

About N-(3-chloro-4-fluorophenyl)-2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide

N-(3-chloro-4-fluorophenyl)-2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide (PubChem CID 91912022) has the molecular formula C21H18ClF2N3O3 and a molecular weight of 433.84 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
PubChem CID91912022
Molecular FormulaC21H18ClF2N3O3
Molecular Weight433.84 g/mol
Exact Mass433.10
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
SMILESCc1nc(-c2ccc(F)cc2)n(CC(=O)Nc2ccc(F)c(Cl)c2)c(=O)c1CCO
InChIInChI=1S/C21H18ClF2N3O3/c1-12-16(8-9-28)21(30)27(20(25-12)13-2-4-14(23)5-3-13)11-19(29)26-15-6-7-18(24)17(22)10-15/h2-7,10,28H,8-9,11H2,1H3,(H,26,29)
InChIKeyTZUIISBUOHABRT-UHFFFAOYSA-N
XLogP3.32
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.84
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 51369011
2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]-N-(4-fluorobenzyl)acetamide
CID 51368976
N-(3-chloro-4-fluorophenyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1(6H)-yl]acetamide
CID 51368519
2-[2-(4-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 51368591
2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 51368710
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]acetamide
CID 51368738
2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]-N-[4-(propan-2-yl)phenyl]acetamide
CID 51368739
N-(3-chlorophenyl)-2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]acetamide
CID 51368746
2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]-N-phenylacetamide
CID 51368758
2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]-N-(4-fluorophenyl)acetamide
CID 51368953
2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]-N-(2-fluorophenyl)acetamide
CID 51368965
2-{2-[Benzyl(methyl)amino]-4-methyl-6-oxo-1,6-dihydropyrimidin-1-YL}-N-(3-chloro-4-fluorophenyl)acetamide
CID 91904090

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide (CID 91912022) is N-(3-chloro-4-fluorophenyl)-2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide is Cc1nc(-c2ccc(F)cc2)n(CC(=O)Nc2ccc(F)c(Cl)c2)c(=O)c1CCO.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide?
The InChIKey is TZUIISBUOHABRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClF2N3O3/c1-12-16(8-9-28)21(30)27(20(25-12)13-2-4-14(23)5-3-13)11-19(29)26-15-6-7-18(24)17(22)10-15/h2-7,10,28H,8-9,11H2,1H3,(H,26,29).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide?
N-(3-chloro-4-fluorophenyl)-2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide has a molecular weight of 433.84 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide is sourced from PubChem (CID 91912022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).