N-(3-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

C11H8FN3O3 — CID 2395084

IUPACN-(3-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H8FN3O3/c12-6-2-1-3-7(4-6)14-9(16)8-5-13-11(18)15-10(8)17/h1-5H,(H,14,16)(H2,13,15,17,18)
InChIKeyCBEPAHMBKIJLID-UHFFFAOYSA-N
MW249.20 g/mol
LogP0.45
Rot. Bonds2

About N-(3-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-(3-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 2395084) has the molecular formula C11H8FN3O3 and a molecular weight of 249.20 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID2395084
Molecular FormulaC11H8FN3O3
Molecular Weight249.20 g/mol
Exact Mass249.05
IUPAC NameN-(3-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H8FN3O3/c12-6-2-1-3-7(4-6)14-9(16)8-5-13-11(18)15-10(8)17/h1-5H,(H,14,16)(H2,13,15,17,18)
InChIKeyCBEPAHMBKIJLID-UHFFFAOYSA-N
XLogP0.45
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.20
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 2395084) is N-(3-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is O=C(Nc1cccc(F)c1)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-(3-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is CBEPAHMBKIJLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O3/c12-6-2-1-3-7(4-6)14-9(16)8-5-13-11(18)15-10(8)17/h1-5H,(H,14,16)(H2,13,15,17,18).
What are the key properties of N-(3-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-(3-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 249.20 g/mol, XLogP of 0.45, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 2395084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).