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

C17H20FN3O3 — CID 50755239

IUPACN-butyl-2-[3-[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide
SMILESCCCCNC(=O)Cn1c(=O)ccn(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C17H20FN3O3/c1-2-3-9-19-15(22)12-21-16(23)8-10-20(17(21)24)11-13-4-6-14(18)7-5-13/h4-8,10H,2-3,9,11-12H2,1H3,(H,19,22)
InChIKeyGIFHRSPVWLOQSK-UHFFFAOYSA-N
MW333.36 g/mol
LogP1.11
Rot. Bonds7

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

N-butyl-2-[3-[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide (PubChem CID 50755239) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is N-butyl-2-[3-[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[3-[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide
PubChem CID50755239
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC NameN-butyl-2-[3-[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide
SMILESCCCCNC(=O)Cn1c(=O)ccn(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C17H20FN3O3/c1-2-3-9-19-15(22)12-21-16(23)8-10-20(17(21)24)11-13-4-6-14(18)7-5-13/h4-8,10H,2-3,9,11-12H2,1H3,(H,19,22)
InChIKeyGIFHRSPVWLOQSK-UHFFFAOYSA-N
XLogP1.11
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-butyl-2-[3-[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[3-[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide?
The IUPAC name of N-butyl-2-[3-[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide (CID 50755239) is N-butyl-2-[3-[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide.
What is the SMILES notation for N-butyl-2-[3-[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide?
The canonical SMILES for N-butyl-2-[3-[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide is CCCCNC(=O)Cn1c(=O)ccn(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of N-butyl-2-[3-[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide?
The InChIKey is GIFHRSPVWLOQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-2-3-9-19-15(22)12-21-16(23)8-10-20(17(21)24)11-13-4-6-14(18)7-5-13/h4-8,10H,2-3,9,11-12H2,1H3,(H,19,22).
What are the key properties of N-butyl-2-[3-[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide?
N-butyl-2-[3-[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide has a molecular weight of 333.36 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[3-[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide is sourced from PubChem (CID 50755239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).