N-(3-chlorophenyl)-2-[2-(4-fluorophenyl)-6-oxo-4-propylpyrimidin-1-yl]acetamide

C21H19ClFN3O2 — CID 91887585

IUPACN-(3-chlorophenyl)-2-[2-(4-fluorophenyl)-6-oxo-4-propylpyrimidin-1-yl]acetamide
SMILESCCCc1cc(=O)n(CC(=O)Nc2cccc(Cl)c2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C21H19ClFN3O2/c1-2-4-17-12-20(28)26(21(25-17)14-7-9-16(23)10-8-14)13-19(27)24-18-6-3-5-15(22)11-18/h3,5-12H,2,4,13H2,1H3,(H,24,27)
InChIKeyOUOJKTZSRPWIKK-UHFFFAOYSA-N
MW399.85 g/mol
LogP4.29
Rot. Bonds6

About N-(3-chlorophenyl)-2-[2-(4-fluorophenyl)-6-oxo-4-propylpyrimidin-1-yl]acetamide

N-(3-chlorophenyl)-2-[2-(4-fluorophenyl)-6-oxo-4-propylpyrimidin-1-yl]acetamide (PubChem CID 91887585) has the molecular formula C21H19ClFN3O2 and a molecular weight of 399.85 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[2-(4-fluorophenyl)-6-oxo-4-propylpyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[2-(4-fluorophenyl)-6-oxo-4-propylpyrimidin-1-yl]acetamide
PubChem CID91887585
Molecular FormulaC21H19ClFN3O2
Molecular Weight399.85 g/mol
Exact Mass399.11
IUPAC NameN-(3-chlorophenyl)-2-[2-(4-fluorophenyl)-6-oxo-4-propylpyrimidin-1-yl]acetamide
SMILESCCCc1cc(=O)n(CC(=O)Nc2cccc(Cl)c2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C21H19ClFN3O2/c1-2-4-17-12-20(28)26(21(25-17)14-7-9-16(23)10-8-14)13-19(27)24-18-6-3-5-15(22)11-18/h3,5-12H,2,4,13H2,1H3,(H,24,27)
InChIKeyOUOJKTZSRPWIKK-UHFFFAOYSA-N
XLogP4.29
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.85
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethylphenyl)-2-[2-(4-fluorophenyl)-6-oxo-4-propylpyrimidin-1-yl]acetamide
CID 91887588
2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3-fluorophenyl)acetamide
CID 91887534
1-[2-(3-chloroanilino)-2-oxoethyl]-N-ethyl-2-(4-fluorophenyl)-6-oxopyrimidine-5-carboxamide
CID 53040208
N-(3-chloro-4-methylphenyl)-2-[2-(4-fluorophenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 91887414
N-(3-fluorophenyl)-2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51368778
N-(3,5-dimethylphenyl)-2-(4-ethyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide
CID 91887464
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(3-chlorophenyl)acetamide
CID 84571223
2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(4-methylphenyl)acetamide
CID 91887505
2-[2-(4-chlorophenyl)-5-ethyl-4-methyl-6-oxopyrimidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 91887541
N-(3-chlorophenyl)-2-[2-(3-ethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 53201894
2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3,5-dimethoxyphenyl)acetamide
CID 91887523
2-[[5,6-bis(4-fluorophenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-(3-chlorophenyl)acetamide
CID 6418312

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[2-(4-fluorophenyl)-6-oxo-4-propylpyrimidin-1-yl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[2-(4-fluorophenyl)-6-oxo-4-propylpyrimidin-1-yl]acetamide (CID 91887585) is N-(3-chlorophenyl)-2-[2-(4-fluorophenyl)-6-oxo-4-propylpyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[2-(4-fluorophenyl)-6-oxo-4-propylpyrimidin-1-yl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[2-(4-fluorophenyl)-6-oxo-4-propylpyrimidin-1-yl]acetamide is CCCc1cc(=O)n(CC(=O)Nc2cccc(Cl)c2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of N-(3-chlorophenyl)-2-[2-(4-fluorophenyl)-6-oxo-4-propylpyrimidin-1-yl]acetamide?
The InChIKey is OUOJKTZSRPWIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN3O2/c1-2-4-17-12-20(28)26(21(25-17)14-7-9-16(23)10-8-14)13-19(27)24-18-6-3-5-15(22)11-18/h3,5-12H,2,4,13H2,1H3,(H,24,27).
What are the key properties of N-(3-chlorophenyl)-2-[2-(4-fluorophenyl)-6-oxo-4-propylpyrimidin-1-yl]acetamide?
N-(3-chlorophenyl)-2-[2-(4-fluorophenyl)-6-oxo-4-propylpyrimidin-1-yl]acetamide has a molecular weight of 399.85 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[2-(4-fluorophenyl)-6-oxo-4-propylpyrimidin-1-yl]acetamide is sourced from PubChem (CID 91887585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).