1-[2-(3-fluoroanilino)-2-oxoethyl]-2-(4-fluorophenyl)-N-methyl-6-oxopyrimidine-5-carboxamide

C20H16F2N4O3 — CID 53040197

IUPAC1-[2-(3-fluoroanilino)-2-oxoethyl]-2-(4-fluorophenyl)-N-methyl-6-oxopyrimidine-5-carboxamide
SMILESCNC(=O)c1cnc(-c2ccc(F)cc2)n(CC(=O)Nc2cccc(F)c2)c1=O
InChIInChI=1S/C20H16F2N4O3/c1-23-19(28)16-10-24-18(12-5-7-13(21)8-6-12)26(20(16)29)11-17(27)25-15-4-2-3-14(22)9-15/h2-10H,11H2,1H3,(H,23,28)(H,25,27)
InChIKeyFFEVNWLDORARAJ-UHFFFAOYSA-N
MW398.37 g/mol
LogP2.19
Rot. Bonds5

About 1-[2-(3-fluoroanilino)-2-oxoethyl]-2-(4-fluorophenyl)-N-methyl-6-oxopyrimidine-5-carboxamide

1-[2-(3-fluoroanilino)-2-oxoethyl]-2-(4-fluorophenyl)-N-methyl-6-oxopyrimidine-5-carboxamide (PubChem CID 53040197) has the molecular formula C20H16F2N4O3 and a molecular weight of 398.37 g/mol. Its IUPAC name is 1-[2-(3-fluoroanilino)-2-oxoethyl]-2-(4-fluorophenyl)-N-methyl-6-oxopyrimidine-5-carboxamide.

Molecular Properties

Compound Name1-[2-(3-fluoroanilino)-2-oxoethyl]-2-(4-fluorophenyl)-N-methyl-6-oxopyrimidine-5-carboxamide
PubChem CID53040197
Molecular FormulaC20H16F2N4O3
Molecular Weight398.37 g/mol
Exact Mass398.12
IUPAC Name1-[2-(3-fluoroanilino)-2-oxoethyl]-2-(4-fluorophenyl)-N-methyl-6-oxopyrimidine-5-carboxamide
SMILESCNC(=O)c1cnc(-c2ccc(F)cc2)n(CC(=O)Nc2cccc(F)c2)c1=O
InChIInChI=1S/C20H16F2N4O3/c1-23-19(28)16-10-24-18(12-5-7-13(21)8-6-12)26(20(16)29)11-17(27)25-15-4-2-3-14(22)9-15/h2-10H,11H2,1H3,(H,23,28)(H,25,27)
InChIKeyFFEVNWLDORARAJ-UHFFFAOYSA-N
XLogP2.19
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.37
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3-chloroanilino)-2-oxoethyl]-N-ethyl-2-(4-fluorophenyl)-6-oxopyrimidine-5-carboxamide
CID 53040208
N-(3-fluorophenyl)-2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51368778
1-[2-(2,4-difluoroanilino)-2-oxoethyl]-2-(4-fluorophenyl)-6-oxopyrimidine-5-carboxamide
CID 53040176
1-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-ethyl-2-(4-fluorophenyl)-6-oxopyrimidine-5-carboxamide
CID 53040213
2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3-fluorophenyl)acetamide
CID 91887534
methyl 3-[2-(3-fluoroanilino)-2-oxoethyl]-2-methylimidazole-4-carboxylate
CID 65171005
2-(4,5-dimethylimidazol-1-yl)-N-(3-fluorophenyl)acetamide
CID 115616714
N-[2-[2-(3-fluoroanilino)-2-oxoethyl]-6-(4-methylphenyl)-3-oxopyridazin-4-yl]benzamide
CID 50812935
N-methyl-3-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzamide
CID 18146174
5-[3-(4-fluorophenyl)anilino]-3-(2-oxopropyl)-2-phenylpyrimidin-4-one
CID 170789355
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-fluorophenyl)acetamide
CID 24564807
ethyl 3-[2-(3-fluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 53031305

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluoroanilino)-2-oxoethyl]-2-(4-fluorophenyl)-N-methyl-6-oxopyrimidine-5-carboxamide?
The IUPAC name of 1-[2-(3-fluoroanilino)-2-oxoethyl]-2-(4-fluorophenyl)-N-methyl-6-oxopyrimidine-5-carboxamide (CID 53040197) is 1-[2-(3-fluoroanilino)-2-oxoethyl]-2-(4-fluorophenyl)-N-methyl-6-oxopyrimidine-5-carboxamide.
What is the SMILES notation for 1-[2-(3-fluoroanilino)-2-oxoethyl]-2-(4-fluorophenyl)-N-methyl-6-oxopyrimidine-5-carboxamide?
The canonical SMILES for 1-[2-(3-fluoroanilino)-2-oxoethyl]-2-(4-fluorophenyl)-N-methyl-6-oxopyrimidine-5-carboxamide is CNC(=O)c1cnc(-c2ccc(F)cc2)n(CC(=O)Nc2cccc(F)c2)c1=O.
What is the InChIKey of 1-[2-(3-fluoroanilino)-2-oxoethyl]-2-(4-fluorophenyl)-N-methyl-6-oxopyrimidine-5-carboxamide?
The InChIKey is FFEVNWLDORARAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O3/c1-23-19(28)16-10-24-18(12-5-7-13(21)8-6-12)26(20(16)29)11-17(27)25-15-4-2-3-14(22)9-15/h2-10H,11H2,1H3,(H,23,28)(H,25,27).
What are the key properties of 1-[2-(3-fluoroanilino)-2-oxoethyl]-2-(4-fluorophenyl)-N-methyl-6-oxopyrimidine-5-carboxamide?
1-[2-(3-fluoroanilino)-2-oxoethyl]-2-(4-fluorophenyl)-N-methyl-6-oxopyrimidine-5-carboxamide has a molecular weight of 398.37 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluoroanilino)-2-oxoethyl]-2-(4-fluorophenyl)-N-methyl-6-oxopyrimidine-5-carboxamide is sourced from PubChem (CID 53040197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).