3-(3-fluorophenyl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide

C20H18FN3O2 — CID 135990303

IUPAC3-(3-fluorophenyl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide
SMILESCc1cc(=O)[nH]c(CCNC(=O)c2cccc(-c3cccc(F)c3)c2)n1
InChIInChI=1S/C20H18FN3O2/c1-13-10-19(25)24-18(23-13)8-9-22-20(26)16-6-2-4-14(11-16)15-5-3-7-17(21)12-15/h2-7,10-12H,8-9H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyZAQNNNUOVZHJOH-UHFFFAOYSA-N
MW351.38 g/mol
LogP2.86
Rot. Bonds5

About 3-(3-fluorophenyl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide

3-(3-fluorophenyl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide (PubChem CID 135990303) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide
PubChem CID135990303
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name3-(3-fluorophenyl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide
SMILESCc1cc(=O)[nH]c(CCNC(=O)c2cccc(-c3cccc(F)c3)c2)n1
InChIInChI=1S/C20H18FN3O2/c1-13-10-19(25)24-18(23-13)8-9-22-20(26)16-6-2-4-14(11-16)15-5-3-7-17(21)12-15/h2-7,10-12H,8-9H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyZAQNNNUOVZHJOH-UHFFFAOYSA-N
XLogP2.86
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethylamino)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide
CID 136664785
3-(2-aminoethoxy)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide
CID 136998459
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2,6-dimethylpyridine-4-carboxamide
CID 137092384
3-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]benzamide
CID 115620189
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide
CID 91774892
3-fluoro-N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzamide
CID 110415131
3-fluoro-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]benzamide
CID 110671393
3-fluoro-N-[2-[(3-fluorobenzoyl)amino]ethyl]-4-methylbenzamide
CID 33319896
3-fluoro-N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide
CID 7287078
2-(2H-indazol-3-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide
CID 137021878
3-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135752930
3-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide
CID 136767873

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide?
The IUPAC name of 3-(3-fluorophenyl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide (CID 135990303) is 3-(3-fluorophenyl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide is Cc1cc(=O)[nH]c(CCNC(=O)c2cccc(-c3cccc(F)c3)c2)n1.
What is the InChIKey of 3-(3-fluorophenyl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide?
The InChIKey is ZAQNNNUOVZHJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-13-10-19(25)24-18(23-13)8-9-22-20(26)16-6-2-4-14(11-16)15-5-3-7-17(21)12-15/h2-7,10-12H,8-9H2,1H3,(H,22,26)(H,23,24,25).
What are the key properties of 3-(3-fluorophenyl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide?
3-(3-fluorophenyl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide has a molecular weight of 351.38 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide is sourced from PubChem (CID 135990303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).