5-fluoro-N-[2-(4-methylphenyl)propyl]-2,4-dioxopyrimidine-1-carboxamide

C15H16FN3O3 — CID 54214924

IUPAC5-fluoro-N-[2-(4-methylphenyl)propyl]-2,4-dioxopyrimidine-1-carboxamide
SMILESCc1ccc(C(C)CNC(=O)n2cc(F)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C15H16FN3O3/c1-9-3-5-11(6-4-9)10(2)7-17-14(21)19-8-12(16)13(20)18-15(19)22/h3-6,8,10H,7H2,1-2H3,(H,17,21)(H,18,20,22)
InChIKeyPYMUSDZAQCLFBH-UHFFFAOYSA-N
MW305.31 g/mol
LogP1.35
Rot. Bonds3

About 5-fluoro-N-[2-(4-methylphenyl)propyl]-2,4-dioxopyrimidine-1-carboxamide

5-fluoro-N-[2-(4-methylphenyl)propyl]-2,4-dioxopyrimidine-1-carboxamide (PubChem CID 54214924) has the molecular formula C15H16FN3O3 and a molecular weight of 305.31 g/mol. Its IUPAC name is 5-fluoro-N-[2-(4-methylphenyl)propyl]-2,4-dioxopyrimidine-1-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[2-(4-methylphenyl)propyl]-2,4-dioxopyrimidine-1-carboxamide
PubChem CID54214924
Molecular FormulaC15H16FN3O3
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC Name5-fluoro-N-[2-(4-methylphenyl)propyl]-2,4-dioxopyrimidine-1-carboxamide
SMILESCc1ccc(C(C)CNC(=O)n2cc(F)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C15H16FN3O3/c1-9-3-5-11(6-4-9)10(2)7-17-14(21)19-8-12(16)13(20)18-15(19)22/h3-6,8,10H,7H2,1-2H3,(H,17,21)(H,18,20,22)
InChIKeyPYMUSDZAQCLFBH-UHFFFAOYSA-N
XLogP1.35
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[2-(4-methylphenyl)propyl]-2,4-dioxopyrimidine-1-carboxamide?
The IUPAC name of 5-fluoro-N-[2-(4-methylphenyl)propyl]-2,4-dioxopyrimidine-1-carboxamide (CID 54214924) is 5-fluoro-N-[2-(4-methylphenyl)propyl]-2,4-dioxopyrimidine-1-carboxamide.
What is the SMILES notation for 5-fluoro-N-[2-(4-methylphenyl)propyl]-2,4-dioxopyrimidine-1-carboxamide?
The canonical SMILES for 5-fluoro-N-[2-(4-methylphenyl)propyl]-2,4-dioxopyrimidine-1-carboxamide is Cc1ccc(C(C)CNC(=O)n2cc(F)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 5-fluoro-N-[2-(4-methylphenyl)propyl]-2,4-dioxopyrimidine-1-carboxamide?
The InChIKey is PYMUSDZAQCLFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3/c1-9-3-5-11(6-4-9)10(2)7-17-14(21)19-8-12(16)13(20)18-15(19)22/h3-6,8,10H,7H2,1-2H3,(H,17,21)(H,18,20,22).
What are the key properties of 5-fluoro-N-[2-(4-methylphenyl)propyl]-2,4-dioxopyrimidine-1-carboxamide?
5-fluoro-N-[2-(4-methylphenyl)propyl]-2,4-dioxopyrimidine-1-carboxamide has a molecular weight of 305.31 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[2-(4-methylphenyl)propyl]-2,4-dioxopyrimidine-1-carboxamide is sourced from PubChem (CID 54214924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).