N-[4-(5-fluoro-2,4-dioxopyrimidin-1-yl)phenyl]hexadecanamide

C26H38FN3O3 — CID 175478487

IUPACN-[4-(5-fluoro-2,4-dioxopyrimidin-1-yl)phenyl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)Nc1ccc(-n2cc(F)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C26H38FN3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(31)28-21-16-18-22(19-17-21)30-20-23(27)25(32)29-26(30)33/h16-20H,2-15H2,1H3,(H,28,31)(H,29,32,33)
InChIKeyVRLIZPKEUUZFHY-UHFFFAOYSA-N
MW459.61 g/mol
LogP6.08
Rot. Bonds16

About N-[4-(5-fluoro-2,4-dioxopyrimidin-1-yl)phenyl]hexadecanamide

N-[4-(5-fluoro-2,4-dioxopyrimidin-1-yl)phenyl]hexadecanamide (PubChem CID 175478487) has the molecular formula C26H38FN3O3 and a molecular weight of 459.61 g/mol. Its IUPAC name is N-[4-(5-fluoro-2,4-dioxopyrimidin-1-yl)phenyl]hexadecanamide.

Molecular Properties

Compound NameN-[4-(5-fluoro-2,4-dioxopyrimidin-1-yl)phenyl]hexadecanamide
PubChem CID175478487
Molecular FormulaC26H38FN3O3
Molecular Weight459.61 g/mol
Exact Mass459.29
IUPAC NameN-[4-(5-fluoro-2,4-dioxopyrimidin-1-yl)phenyl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)Nc1ccc(-n2cc(F)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C26H38FN3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(31)28-21-16-18-22(19-17-21)30-20-23(27)25(32)29-26(30)33/h16-20H,2-15H2,1H3,(H,28,31)(H,29,32,33)
InChIKeyVRLIZPKEUUZFHY-UHFFFAOYSA-N
XLogP6.08
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.61
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-fluoro-2,4-dioxopyrimidin-1-yl)phenyl]hexadecanamide?
The IUPAC name of N-[4-(5-fluoro-2,4-dioxopyrimidin-1-yl)phenyl]hexadecanamide (CID 175478487) is N-[4-(5-fluoro-2,4-dioxopyrimidin-1-yl)phenyl]hexadecanamide.
What is the SMILES notation for N-[4-(5-fluoro-2,4-dioxopyrimidin-1-yl)phenyl]hexadecanamide?
The canonical SMILES for N-[4-(5-fluoro-2,4-dioxopyrimidin-1-yl)phenyl]hexadecanamide is CCCCCCCCCCCCCCCC(=O)Nc1ccc(-n2cc(F)c(=O)[nH]c2=O)cc1.
What is the InChIKey of N-[4-(5-fluoro-2,4-dioxopyrimidin-1-yl)phenyl]hexadecanamide?
The InChIKey is VRLIZPKEUUZFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38FN3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(31)28-21-16-18-22(19-17-21)30-20-23(27)25(32)29-26(30)33/h16-20H,2-15H2,1H3,(H,28,31)(H,29,32,33).
What are the key properties of N-[4-(5-fluoro-2,4-dioxopyrimidin-1-yl)phenyl]hexadecanamide?
N-[4-(5-fluoro-2,4-dioxopyrimidin-1-yl)phenyl]hexadecanamide has a molecular weight of 459.61 g/mol, XLogP of 6.08, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-fluoro-2,4-dioxopyrimidin-1-yl)phenyl]hexadecanamide is sourced from PubChem (CID 175478487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).