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

C17H12FN3O3 — CID 3473475

IUPACN-(2-fluorophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1F)c1c[nH]c(=O)n(-c2ccccc2)c1=O
InChIInChI=1S/C17H12FN3O3/c18-13-8-4-5-9-14(13)20-15(22)12-10-19-17(24)21(16(12)23)11-6-2-1-3-7-11/h1-10H,(H,19,24)(H,20,22)
InChIKeyUOFOLOQHXZHOIQ-UHFFFAOYSA-N
MW325.30 g/mol
LogP1.92
Rot. Bonds3

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

N-(2-fluorophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide (PubChem CID 3473475) has the molecular formula C17H12FN3O3 and a molecular weight of 325.30 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
PubChem CID3473475
Molecular FormulaC17H12FN3O3
Molecular Weight325.30 g/mol
Exact Mass325.09
IUPAC NameN-(2-fluorophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1F)c1c[nH]c(=O)n(-c2ccccc2)c1=O
InChIInChI=1S/C17H12FN3O3/c18-13-8-4-5-9-14(13)20-15(22)12-10-19-17(24)21(16(12)23)11-6-2-1-3-7-11/h1-10H,(H,19,24)(H,20,22)
InChIKeyUOFOLOQHXZHOIQ-UHFFFAOYSA-N
XLogP1.92
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.30
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide (CID 3473475) is N-(2-fluorophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide is O=C(Nc1ccccc1F)c1c[nH]c(=O)n(-c2ccccc2)c1=O.
What is the InChIKey of N-(2-fluorophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide?
The InChIKey is UOFOLOQHXZHOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O3/c18-13-8-4-5-9-14(13)20-15(22)12-10-19-17(24)21(16(12)23)11-6-2-1-3-7-11/h1-10H,(H,19,24)(H,20,22).
What are the key properties of N-(2-fluorophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide?
N-(2-fluorophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide has a molecular weight of 325.30 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 3473475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).