2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-fluorobenzoic acid

C12H8FN3O5 — CID 28773366

IUPAC2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-fluorobenzoic acid
SMILESO=C(O)c1ccc(F)cc1NC(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H8FN3O5/c13-5-1-2-6(11(19)20)8(3-5)15-9(17)7-4-14-12(21)16-10(7)18/h1-4H,(H,15,17)(H,19,20)(H2,14,16,18,21)
InChIKeyWFRGOPRAXMPHTR-UHFFFAOYSA-N
MW293.21 g/mol
LogP0.15
Rot. Bonds3

About 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-fluorobenzoic acid

2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-fluorobenzoic acid (PubChem CID 28773366) has the molecular formula C12H8FN3O5 and a molecular weight of 293.21 g/mol. Its IUPAC name is 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-fluorobenzoic acid
PubChem CID28773366
Molecular FormulaC12H8FN3O5
Molecular Weight293.21 g/mol
Exact Mass293.04
IUPAC Name2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-fluorobenzoic acid
SMILESO=C(O)c1ccc(F)cc1NC(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H8FN3O5/c13-5-1-2-6(11(19)20)8(3-5)15-9(17)7-4-14-12(21)16-10(7)18/h1-4H,(H,15,17)(H,19,20)(H2,14,16,18,21)
InChIKeyWFRGOPRAXMPHTR-UHFFFAOYSA-N
XLogP0.15
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 50.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoic acid
CID 28773270
N-(2,4-dioxo-1H-pyrimidin-5-yl)-2,4-difluorobenzamide
CID 108797381
2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-6-fluorobenzoic acid
CID 43442864
4-fluoro-2-[(4-fluorobenzoyl)amino]benzoic acid
CID 16789233
5-bromo-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoic acid
CID 62073266
N-(4-bromo-2,5-difluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 107612322
4-fluoro-2-[(5-fluoro-2-methylbenzoyl)amino]benzoic acid
CID 62033554
N-(2,4-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 110864096
N-(2,5-dimethylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 110857337
N-(2-aminophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 43599993
N-(2-chloro-4-hydroxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 64786362
1-(2,5-difluorophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea
CID 20929982

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-fluorobenzoic acid?
The IUPAC name of 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-fluorobenzoic acid (CID 28773366) is 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-fluorobenzoic acid.
What is the SMILES notation for 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-fluorobenzoic acid?
The canonical SMILES for 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-fluorobenzoic acid is O=C(O)c1ccc(F)cc1NC(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-fluorobenzoic acid?
The InChIKey is WFRGOPRAXMPHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3O5/c13-5-1-2-6(11(19)20)8(3-5)15-9(17)7-4-14-12(21)16-10(7)18/h1-4H,(H,15,17)(H,19,20)(H2,14,16,18,21).
What are the key properties of 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-fluorobenzoic acid?
2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-fluorobenzoic acid has a molecular weight of 293.21 g/mol, XLogP of 0.15, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-fluorobenzoic acid is sourced from PubChem (CID 28773366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).