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

C20H17ClFN3O2 — CID 91887414

IUPACN-(3-chloro-4-methylphenyl)-2-[2-(4-fluorophenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
SMILESCc1cc(=O)n(CC(=O)Nc2ccc(C)c(Cl)c2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H17ClFN3O2/c1-12-3-8-16(10-17(12)21)24-18(26)11-25-19(27)9-13(2)23-20(25)14-4-6-15(22)7-5-14/h3-10H,11H2,1-2H3,(H,24,26)
InChIKeyJESUTSFMTNEBGX-UHFFFAOYSA-N
MW385.83 g/mol
LogP3.96
Rot. Bonds4

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

N-(3-chloro-4-methylphenyl)-2-[2-(4-fluorophenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide (PubChem CID 91887414) has the molecular formula C20H17ClFN3O2 and a molecular weight of 385.83 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[2-(4-fluorophenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[2-(4-fluorophenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
PubChem CID91887414
Molecular FormulaC20H17ClFN3O2
Molecular Weight385.83 g/mol
Exact Mass385.10
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[2-(4-fluorophenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
SMILESCc1cc(=O)n(CC(=O)Nc2ccc(C)c(Cl)c2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H17ClFN3O2/c1-12-3-8-16(10-17(12)21)24-18(26)11-25-19(27)9-13(2)23-20(25)14-4-6-15(22)7-5-14/h3-10H,11H2,1-2H3,(H,24,26)
InChIKeyJESUTSFMTNEBGX-UHFFFAOYSA-N
XLogP3.96
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.83
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51370568
2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3-fluorophenyl)acetamide
CID 91887534
N-(3-fluoro-4-methylphenyl)-2-(4-methyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide
CID 91887493
2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(4-methylphenyl)acetamide
CID 91887505
2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3,5-dimethoxyphenyl)acetamide
CID 91887523
N-(3-chlorophenyl)-2-[2-(4-fluorophenyl)-6-oxo-4-propylpyrimidin-1-yl]acetamide
CID 91887585
3-[1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-(4-fluorophenyl)pyrrol-2-yl]propanoic acid
CID 18891631
N-(3-chloro-4-methylphenyl)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 91903903
N-(3-chloro-4-methylphenyl)-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997773
N-(3-chloro-4-methylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 808918
N-(2,6-dimethylphenyl)-2-[2-(4-fluorophenyl)-6-oxo-4-propylpyrimidin-1-yl]acetamide
CID 91887588
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-chloro-4-methylphenyl)-2-[2-(4-fluorophenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[2-(4-fluorophenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide (CID 91887414) is N-(3-chloro-4-methylphenyl)-2-[2-(4-fluorophenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[2-(4-fluorophenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[2-(4-fluorophenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide is Cc1cc(=O)n(CC(=O)Nc2ccc(C)c(Cl)c2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[2-(4-fluorophenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide?
The InChIKey is JESUTSFMTNEBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O2/c1-12-3-8-16(10-17(12)21)24-18(26)11-25-19(27)9-13(2)23-20(25)14-4-6-15(22)7-5-14/h3-10H,11H2,1-2H3,(H,24,26).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[2-(4-fluorophenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide?
N-(3-chloro-4-methylphenyl)-2-[2-(4-fluorophenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide has a molecular weight of 385.83 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[2-(4-fluorophenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide is sourced from PubChem (CID 91887414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).