2-[3-[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-propan-2-ylacetamide

C16H18FN3O3 — CID 50755241

IUPAC2-[3-[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1c(=O)ccn(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C16H18FN3O3/c1-11(2)18-14(21)10-20-15(22)7-8-19(16(20)23)9-12-3-5-13(17)6-4-12/h3-8,11H,9-10H2,1-2H3,(H,18,21)
InChIKeySYBMXVMPHULURY-UHFFFAOYSA-N
MW319.34 g/mol
LogP0.72
Rot. Bonds5

About 2-[3-[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-propan-2-ylacetamide

2-[3-[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-propan-2-ylacetamide (PubChem CID 50755241) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is 2-[3-[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[3-[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-propan-2-ylacetamide
PubChem CID50755241
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC Name2-[3-[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1c(=O)ccn(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C16H18FN3O3/c1-11(2)18-14(21)10-20-15(22)7-8-19(16(20)23)9-12-3-5-13(17)6-4-12/h3-8,11H,9-10H2,1-2H3,(H,18,21)
InChIKeySYBMXVMPHULURY-UHFFFAOYSA-N
XLogP0.72
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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-butyl-2-[3-[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide
CID 50755239
2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-propan-2-ylacetamide
CID 6502338
(2S)-2-[[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]-N-ethylpropanamide
CID 9470737
N-(4-ethylphenyl)-2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide
CID 50755299
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
CID 43033506
2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-propylacetamide
CID 50755172
N-(2,5-difluorophenyl)-2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide
CID 50755199
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(1-naphthalen-2-ylethyl)acetamide
CID 112795849
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate
CID 9136931
2-[6-[(4-fluorophenyl)methyl]-2-methyl-5,7-dioxopyrazolo[4,3-d]pyrimidin-4-yl]-N-propan-2-ylacetamide
CID 20974676
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-ethylphenyl)acetamide
CID 17498072
N-(5-chloro-2-methylphenyl)-2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide
CID 50755349

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[3-[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-propan-2-ylacetamide (CID 50755241) is 2-[3-[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[3-[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[3-[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1c(=O)ccn(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of 2-[3-[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is SYBMXVMPHULURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3/c1-11(2)18-14(21)10-20-15(22)7-8-19(16(20)23)9-12-3-5-13(17)6-4-12/h3-8,11H,9-10H2,1-2H3,(H,18,21).
What are the key properties of 2-[3-[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-propan-2-ylacetamide?
2-[3-[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 319.34 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 50755241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).