N-(3-fluoro-4-methylphenyl)-2-(4-methyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide

C20H18FN3O2 — CID 91887493

IUPACN-(3-fluoro-4-methylphenyl)-2-(4-methyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide
SMILESCc1cc(=O)n(CC(=O)Nc2ccc(C)c(F)c2)c(-c2ccccc2)n1
InChIInChI=1S/C20H18FN3O2/c1-13-8-9-16(11-17(13)21)23-18(25)12-24-19(26)10-14(2)22-20(24)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,23,25)
InChIKeyBQTRNUYEGJUTHL-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.30
Rot. Bonds4

About N-(3-fluoro-4-methylphenyl)-2-(4-methyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide

N-(3-fluoro-4-methylphenyl)-2-(4-methyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide (PubChem CID 91887493) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-(4-methyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-(4-methyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide
PubChem CID91887493
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-(4-methyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide
SMILESCc1cc(=O)n(CC(=O)Nc2ccc(C)c(F)c2)c(-c2ccccc2)n1
InChIInChI=1S/C20H18FN3O2/c1-13-8-9-16(11-17(13)21)23-18(25)12-24-19(26)10-14(2)22-20(24)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,23,25)
InChIKeyBQTRNUYEGJUTHL-UHFFFAOYSA-N
XLogP3.30
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[2-(4-fluorophenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 91887414
2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3-fluorophenyl)acetamide
CID 91887534
2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(4-methylphenyl)acetamide
CID 91887505
N-(3-chloro-4-methylphenyl)-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51370568
2-(2-ethyl-4-oxoquinazolin-3-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 45030818
2-(2,4-dimethyl-6-oxopyrimidin-1-yl)-N-(2-fluorophenyl)acetamide
CID 7748871
N-(3,5-dimethylphenyl)-2-(4-ethyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide
CID 91887464
2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3,5-dimethoxyphenyl)acetamide
CID 91887523
N-(3,4-difluorophenyl)-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]acetamide
CID 53201916
N-(3-fluoro-4-methylphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
CID 8541133
N-(3-fluoro-4-methylphenyl)-2-[(3S)-3-hydroxy-2-oxo-3-phenylindol-1-yl]acetamide
CID 95095513
N-(1,3-benzodioxol-5-yl)-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51370618

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-(4-methyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-(4-methyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide (CID 91887493) is N-(3-fluoro-4-methylphenyl)-2-(4-methyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-(4-methyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-(4-methyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide is Cc1cc(=O)n(CC(=O)Nc2ccc(C)c(F)c2)c(-c2ccccc2)n1.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-(4-methyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide?
The InChIKey is BQTRNUYEGJUTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-13-8-9-16(11-17(13)21)23-18(25)12-24-19(26)10-14(2)22-20(24)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,23,25).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-(4-methyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide?
N-(3-fluoro-4-methylphenyl)-2-(4-methyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide has a molecular weight of 351.38 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-(4-methyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide is sourced from PubChem (CID 91887493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).