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

C21H18Cl2FN3O3 — CID 51368967

IUPACN-(4-chloro-2-fluorophenyl)-2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
SMILESCc1nc(-c2cccc(Cl)c2)n(CC(=O)Nc2ccc(Cl)cc2F)c(=O)c1CCO
InChIInChI=1S/C21H18Cl2FN3O3/c1-12-16(7-8-28)21(30)27(20(25-12)13-3-2-4-14(22)9-13)11-19(29)26-18-6-5-15(23)10-17(18)24/h2-6,9-10,28H,7-8,11H2,1H3,(H,26,29)
InChIKeyKALKJSNDMRYALO-UHFFFAOYSA-N
MW450.30 g/mol
LogP3.84
Rot. Bonds6

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

N-(4-chloro-2-fluorophenyl)-2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide (PubChem CID 51368967) has the molecular formula C21H18Cl2FN3O3 and a molecular weight of 450.30 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
PubChem CID51368967
Molecular FormulaC21H18Cl2FN3O3
Molecular Weight450.30 g/mol
Exact Mass449.07
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
SMILESCc1nc(-c2cccc(Cl)c2)n(CC(=O)Nc2ccc(Cl)cc2F)c(=O)c1CCO
InChIInChI=1S/C21H18Cl2FN3O3/c1-12-16(7-8-28)21(30)27(20(25-12)13-3-2-4-14(22)9-13)11-19(29)26-18-6-5-15(23)10-17(18)24/h2-6,9-10,28H,7-8,11H2,1H3,(H,26,29)
InChIKeyKALKJSNDMRYALO-UHFFFAOYSA-N
XLogP3.84
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.30
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51369133
N-(2-fluoro-4-methylphenyl)-2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51369145
N-(2,4-difluorophenyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]acetamide
CID 51368513
2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 51368933
2-[2-(4-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2,5-difluorophenyl)acetamide
CID 51368647
2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 51369001
N-benzyl-2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51368921
N-(2-chloro-4-methylphenyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]acetamide
CID 51368511
N-(2-ethylphenyl)-2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51369064
2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(3,4-dimethylphenyl)methyl]acetamide
CID 51369032
2-[2-(4-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[4-(diethylamino)-2-methylphenyl]acetamide
CID 51368704
2-[2-(4-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 51368604

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide (CID 51368967) is N-(4-chloro-2-fluorophenyl)-2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide is Cc1nc(-c2cccc(Cl)c2)n(CC(=O)Nc2ccc(Cl)cc2F)c(=O)c1CCO.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide?
The InChIKey is KALKJSNDMRYALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2FN3O3/c1-12-16(7-8-28)21(30)27(20(25-12)13-3-2-4-14(22)9-13)11-19(29)26-18-6-5-15(23)10-17(18)24/h2-6,9-10,28H,7-8,11H2,1H3,(H,26,29).
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide?
N-(4-chloro-2-fluorophenyl)-2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide has a molecular weight of 450.30 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide is sourced from PubChem (CID 51368967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).