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

C19H15ClFN3O2 — CID 91887534

IUPAC2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3-fluorophenyl)acetamide
SMILESCc1cc(=O)n(CC(=O)Nc2cccc(F)c2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H15ClFN3O2/c1-12-9-18(26)24(19(22-12)13-5-7-14(20)8-6-13)11-17(25)23-16-4-2-3-15(21)10-16/h2-10H,11H2,1H3,(H,23,25)
InChIKeyMMFWKLGJFVMFRD-UHFFFAOYSA-N
MW371.80 g/mol
LogP3.65
Rot. Bonds4

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

2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3-fluorophenyl)acetamide (PubChem CID 91887534) has the molecular formula C19H15ClFN3O2 and a molecular weight of 371.80 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3-fluorophenyl)acetamide
PubChem CID91887534
Molecular FormulaC19H15ClFN3O2
Molecular Weight371.80 g/mol
Exact Mass371.08
IUPAC Name2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3-fluorophenyl)acetamide
SMILESCc1cc(=O)n(CC(=O)Nc2cccc(F)c2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H15ClFN3O2/c1-12-9-18(26)24(19(22-12)13-5-7-14(20)8-6-13)11-17(25)23-16-4-2-3-15(21)10-16/h2-10H,11H2,1H3,(H,23,25)
InChIKeyMMFWKLGJFVMFRD-UHFFFAOYSA-N
XLogP3.65
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.80
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(4-methylphenyl)acetamide
CID 91887505
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-(3,5-dimethoxyphenyl)acetamide
CID 91887523
N-(3-fluoro-4-methylphenyl)-2-(4-methyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide
CID 91887493
N-(3-chlorophenyl)-2-[2-(4-fluorophenyl)-6-oxo-4-propylpyrimidin-1-yl]acetamide
CID 91887585
N-(3-chloro-4-methylphenyl)-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51370568
N-(3-fluorophenyl)-2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51368778
N-(3,4-difluorophenyl)-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]acetamide
CID 53201916
2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluorophenyl)acetamide
CID 1262578
N-(1,3-benzodioxol-5-yl)-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51370618
2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]-N-(3-fluorophenyl)acetamide
CID 17033179
2-[2-(4-chlorophenyl)-5-ethyl-4-methyl-6-oxopyrimidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 91887541

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3-fluorophenyl)acetamide (CID 91887534) is 2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3-fluorophenyl)acetamide is Cc1cc(=O)n(CC(=O)Nc2cccc(F)c2)c(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3-fluorophenyl)acetamide?
The InChIKey is MMFWKLGJFVMFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O2/c1-12-9-18(26)24(19(22-12)13-5-7-14(20)8-6-13)11-17(25)23-16-4-2-3-15(21)10-16/h2-10H,11H2,1H3,(H,23,25).
What are the key properties of 2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3-fluorophenyl)acetamide?
2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3-fluorophenyl)acetamide has a molecular weight of 371.80 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 91887534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).