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

C19H15ClFN3O2 — CID 91887518

IUPAC2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2-fluorophenyl)acetamide
SMILESCc1cc(=O)n(CC(=O)Nc2ccccc2F)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H15ClFN3O2/c1-12-10-18(26)24(19(22-12)13-6-8-14(20)9-7-13)11-17(25)23-16-5-3-2-4-15(16)21/h2-10H,11H2,1H3,(H,23,25)
InChIKeyKGUVNDJGWITTPF-UHFFFAOYSA-N
MW371.80 g/mol
LogP3.65
Rot. Bonds4

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

2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 91887518) 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-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2-fluorophenyl)acetamide
PubChem CID91887518
Molecular FormulaC19H15ClFN3O2
Molecular Weight371.80 g/mol
Exact Mass371.08
IUPAC Name2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2-fluorophenyl)acetamide
SMILESCc1cc(=O)n(CC(=O)Nc2ccccc2F)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H15ClFN3O2/c1-12-10-18(26)24(19(22-12)13-6-8-14(20)9-7-13)11-17(25)23-16-5-3-2-4-15(16)21/h2-10H,11H2,1H3,(H,23,25)
InChIKeyKGUVNDJGWITTPF-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

3-(4-Chloro-phenyl)-4-{2-[4-(2-fluoro-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-4H-[1,2,4]oxadiazol-5-one
CID 656224
(E)-3-(4-chlorophenyl)-N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]prop-2-enamide
CID 2604167
3-{[2-(4-Chlorophenyl)ethyl]amino}-1-phenyl-1,2-dihydropyrazin-2-one
CID 16025725
2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 51369011
N-(3-chloro-2-methylphenyl)-2-[3-(4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide
CID 1434973
N-(5-chloro-2-methylphenyl)-2-(4-methyl-6-oxo-2-propan-2-ylpyrimidin-1-yl)acetamide
CID 2425814
N-[(4-chlorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 2654075
N-[(4-chlorophenyl)methyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 6470264
Slupp-225
CID 137636055
(E)-3-(4-chlorophenyl)-N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]prop-2-enamide
CID 137659344
2-[2-(4-fluorophenyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]-N-(3-methylphenyl)acetamide
CID 49807213
2-(4-Fluorophenyl)-3-{2-[4-(4-fluorophenyl)piperazin-1-YL]-2-oxoethyl}-6-methyl-3,4-dihydropyrimidin-4-one
CID 49807284

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2-fluorophenyl)acetamide (CID 91887518) is 2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2-fluorophenyl)acetamide is Cc1cc(=O)n(CC(=O)Nc2ccccc2F)c(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2-fluorophenyl)acetamide?
The InChIKey is KGUVNDJGWITTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O2/c1-12-10-18(26)24(19(22-12)13-6-8-14(20)9-7-13)11-17(25)23-16-5-3-2-4-15(16)21/h2-10H,11H2,1H3,(H,23,25).
What are the key properties of 2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2-fluorophenyl)acetamide?
2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2-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-(2-fluorophenyl)acetamide is sourced from PubChem (CID 91887518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).