2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-propylacetamide

C16H18FN3O3 — CID 50755172

IUPAC2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1c(=O)ccn(Cc2cccc(F)c2)c1=O
InChIInChI=1S/C16H18FN3O3/c1-2-7-18-14(21)11-20-15(22)6-8-19(16(20)23)10-12-4-3-5-13(17)9-12/h3-6,8-9H,2,7,10-11H2,1H3,(H,18,21)
InChIKeyFAGJKCSVSSDCSS-UHFFFAOYSA-N
MW319.34 g/mol
LogP0.72
Rot. Bonds6

About 2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-propylacetamide

2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-propylacetamide (PubChem CID 50755172) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is 2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-propylacetamide
PubChem CID50755172
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC Name2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1c(=O)ccn(Cc2cccc(F)c2)c1=O
InChIInChI=1S/C16H18FN3O3/c1-2-7-18-14(21)11-20-15(22)6-8-19(16(20)23)10-12-4-3-5-13(17)9-12/h3-6,8-9H,2,7,10-11H2,1H3,(H,18,21)
InChIKeyFAGJKCSVSSDCSS-UHFFFAOYSA-N
XLogP0.72
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethylphenyl)-2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide
CID 50755299
N-butyl-2-[3-[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide
CID 50755239
N-(2,5-difluorophenyl)-2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide
CID 50755199
N-(5-chloro-2-methylphenyl)-2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide
CID 50755349
3-[(3-fluorophenyl)methyl]-1-propylpyrimidine-2,4-dione
CID 63812060
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(3-phenylpropyl)acetamide
CID 29353373
2-[3-[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-propan-2-ylacetamide
CID 50755241
N-[2-(3-fluorophenyl)ethyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 18100521
3-[[[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]methyl]-N-ethylbenzamide
CID 112827568
1-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-3-propylurea
CID 30859523
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-ethylphenyl)acetamide
CID 17498072
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-prop-2-enylacetamide
CID 9207698

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-propylacetamide (CID 50755172) is 2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-propylacetamide is CCCNC(=O)Cn1c(=O)ccn(Cc2cccc(F)c2)c1=O.
What is the InChIKey of 2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-propylacetamide?
The InChIKey is FAGJKCSVSSDCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3/c1-2-7-18-14(21)11-20-15(22)6-8-19(16(20)23)10-12-4-3-5-13(17)9-12/h3-6,8-9H,2,7,10-11H2,1H3,(H,18,21).
What are the key properties of 2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-propylacetamide?
2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-propylacetamide has a molecular weight of 319.34 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-propylacetamide is sourced from PubChem (CID 50755172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).