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

C11H7BrFN3O3 — CID 65430680

IUPACN-(4-bromo-3-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(Br)c(F)c1)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H7BrFN3O3/c12-7-2-1-5(3-8(7)13)15-9(17)6-4-14-11(19)16-10(6)18/h1-4H,(H,15,17)(H2,14,16,18,19)
InChIKeyVRMDNGWISYLBJF-UHFFFAOYSA-N
MW328.10 g/mol
LogP1.22
Rot. Bonds2

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

N-(4-bromo-3-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 65430680) has the molecular formula C11H7BrFN3O3 and a molecular weight of 328.10 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID65430680
Molecular FormulaC11H7BrFN3O3
Molecular Weight328.10 g/mol
Exact Mass326.97
IUPAC NameN-(4-bromo-3-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(Br)c(F)c1)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H7BrFN3O3/c12-7-2-1-5(3-8(7)13)15-9(17)6-4-14-11(19)16-10(6)18/h1-4H,(H,15,17)(H2,14,16,18,19)
InChIKeyVRMDNGWISYLBJF-UHFFFAOYSA-N
XLogP1.22
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.10
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2,5-difluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 107612322
N-(4-bromo-3-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 113241584
N-(4-bromo-3-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 65436030
N-(4-bromo-3-fluorophenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 65435783
N-(4-bromo-3-fluorophenyl)-2-fluorobenzamide
CID 65436517
N-[4-(hydroxymethyl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 64794316
5-bromo-N-(4-bromo-3-fluorophenyl)-2-fluorobenzamide
CID 65438137
N-(5-bromo-6-methyl-2-pyridinyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 79048283
4-bromo-N-(4-bromo-3-fluorophenyl)-3-fluorobenzamide
CID 65435198
N-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 110860019
N-(3-bromo-4-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 71993657
2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-fluorobenzoic acid
CID 28773366

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(4-bromo-3-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 65430680) is N-(4-bromo-3-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is O=C(Nc1ccc(Br)c(F)c1)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is VRMDNGWISYLBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrFN3O3/c12-7-2-1-5(3-8(7)13)15-9(17)6-4-14-11(19)16-10(6)18/h1-4H,(H,15,17)(H2,14,16,18,19).
What are the key properties of N-(4-bromo-3-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-(4-bromo-3-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 328.10 g/mol, XLogP of 1.22, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 65430680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).