N-[1-(4-fluorophenyl)propyl]-2-(2-oxopyrimidin-1-yl)acetamide

C15H16FN3O2 — CID 56873610

IUPACN-[1-(4-fluorophenyl)propyl]-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCCC(NC(=O)Cn1cccnc1=O)c1ccc(F)cc1
InChIInChI=1S/C15H16FN3O2/c1-2-13(11-4-6-12(16)7-5-11)18-14(20)10-19-9-3-8-17-15(19)21/h3-9,13H,2,10H2,1H3,(H,18,20)
InChIKeyYOKZYUSGFGAFTJ-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.65
Rot. Bonds5

About N-[1-(4-fluorophenyl)propyl]-2-(2-oxopyrimidin-1-yl)acetamide

N-[1-(4-fluorophenyl)propyl]-2-(2-oxopyrimidin-1-yl)acetamide (PubChem CID 56873610) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)propyl]-2-(2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)propyl]-2-(2-oxopyrimidin-1-yl)acetamide
PubChem CID56873610
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC NameN-[1-(4-fluorophenyl)propyl]-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCCC(NC(=O)Cn1cccnc1=O)c1ccc(F)cc1
InChIInChI=1S/C15H16FN3O2/c1-2-13(11-4-6-12(16)7-5-11)18-14(20)10-19-9-3-8-17-15(19)21/h3-9,13H,2,10H2,1H3,(H,18,20)
InChIKeyYOKZYUSGFGAFTJ-UHFFFAOYSA-N
XLogP1.65
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl)acetamide
CID 153585679
1-Cyclohexyl-3-[1-(4-fluoro-benzyl)-2-oxo-1,2-dihydro-pyridin-3-yl]-urea
CID 1450067
1-Cyclohexyl-3-[1-[(3-fluorophenyl)methyl]-2-oxo-3-pyridinyl]urea
CID 1450155
2-(4-amino-2-oxopyrimidin-1-yl)-N-(3-phenylpropyl)acetamide
CID 44144253
2-[(3-fluorophenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
CID 4877608
2-[(2-fluorophenyl)methyl-methylamino]-N-(4-phenylbutan-2-yl)acetamide
CID 4883659
2-[(4-fluorophenyl)methyl-methylamino]-N-(4-phenylbutan-2-yl)acetamide
CID 4883719
N-[(1S)-1-(4-methylphenyl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl)acetamide
CID 153585543
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 153585680
2-(4-amino-2-oxopyrimidin-1-yl)-N-(2-phenylpropyl)acetamide
CID 44144260
2-(carbamoylamino)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 2541148
N-(cyclopropylcarbamoyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 8909075

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)propyl]-2-(2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[1-(4-fluorophenyl)propyl]-2-(2-oxopyrimidin-1-yl)acetamide (CID 56873610) is N-[1-(4-fluorophenyl)propyl]-2-(2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)propyl]-2-(2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[1-(4-fluorophenyl)propyl]-2-(2-oxopyrimidin-1-yl)acetamide is CCC(NC(=O)Cn1cccnc1=O)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)propyl]-2-(2-oxopyrimidin-1-yl)acetamide?
The InChIKey is YOKZYUSGFGAFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-2-13(11-4-6-12(16)7-5-11)18-14(20)10-19-9-3-8-17-15(19)21/h3-9,13H,2,10H2,1H3,(H,18,20).
What are the key properties of N-[1-(4-fluorophenyl)propyl]-2-(2-oxopyrimidin-1-yl)acetamide?
N-[1-(4-fluorophenyl)propyl]-2-(2-oxopyrimidin-1-yl)acetamide has a molecular weight of 289.31 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)propyl]-2-(2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 56873610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).