N-(2,4-dioxo-1H-pyrimidin-5-yl)-2,4-difluorobenzamide

C11H7F2N3O3 — CID 108797381

IUPACN-(2,4-dioxo-1H-pyrimidin-5-yl)-2,4-difluorobenzamide
SMILESO=C(Nc1c[nH]c(=O)[nH]c1=O)c1ccc(F)cc1F
InChIInChI=1S/C11H7F2N3O3/c12-5-1-2-6(7(13)3-5)9(17)15-8-4-14-11(19)16-10(8)18/h1-4H,(H,15,17)(H2,14,16,18,19)
InChIKeyZMHFUDWIBDWNEZ-UHFFFAOYSA-N
MW267.19 g/mol
LogP0.59
Rot. Bonds2

About N-(2,4-dioxo-1H-pyrimidin-5-yl)-2,4-difluorobenzamide

N-(2,4-dioxo-1H-pyrimidin-5-yl)-2,4-difluorobenzamide (PubChem CID 108797381) has the molecular formula C11H7F2N3O3 and a molecular weight of 267.19 g/mol. Its IUPAC name is N-(2,4-dioxo-1H-pyrimidin-5-yl)-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-(2,4-dioxo-1H-pyrimidin-5-yl)-2,4-difluorobenzamide
PubChem CID108797381
Molecular FormulaC11H7F2N3O3
Molecular Weight267.19 g/mol
Exact Mass267.05
IUPAC NameN-(2,4-dioxo-1H-pyrimidin-5-yl)-2,4-difluorobenzamide
SMILESO=C(Nc1c[nH]c(=O)[nH]c1=O)c1ccc(F)cc1F
InChIInChI=1S/C11H7F2N3O3/c12-5-1-2-6(7(13)3-5)9(17)15-8-4-14-11(19)16-10(8)18/h1-4H,(H,15,17)(H2,14,16,18,19)
InChIKeyZMHFUDWIBDWNEZ-UHFFFAOYSA-N
XLogP0.59
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.19
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-fluorobenzoic acid
CID 28773366
1-(2,5-difluorophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea
CID 20929982
N-(4-bromo-2,5-difluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 107612322
N-(5-chloro-2-fluorophenyl)-2,4-difluorobenzamide
CID 7899666
2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-6-fluorobenzoic acid
CID 43442864
N-(4-chloro-2-fluorophenyl)-2,4-difluorobenzamide
CID 2572466
N-(2,4-difluorophenyl)-2-fluoro-4-hydroxybenzamide
CID 103941207
4-bromo-2-[(2,4-difluorobenzoyl)amino]benzoic acid
CID 60917051
N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(trifluoromethyl)benzamide
CID 108797111
N-(2,4-difluorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 39849781
N-(4-bromo-3-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 65430680
5-fluoro-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674704

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-1H-pyrimidin-5-yl)-2,4-difluorobenzamide?
The IUPAC name of N-(2,4-dioxo-1H-pyrimidin-5-yl)-2,4-difluorobenzamide (CID 108797381) is N-(2,4-dioxo-1H-pyrimidin-5-yl)-2,4-difluorobenzamide.
What is the SMILES notation for N-(2,4-dioxo-1H-pyrimidin-5-yl)-2,4-difluorobenzamide?
The canonical SMILES for N-(2,4-dioxo-1H-pyrimidin-5-yl)-2,4-difluorobenzamide is O=C(Nc1c[nH]c(=O)[nH]c1=O)c1ccc(F)cc1F.
What is the InChIKey of N-(2,4-dioxo-1H-pyrimidin-5-yl)-2,4-difluorobenzamide?
The InChIKey is ZMHFUDWIBDWNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2N3O3/c12-5-1-2-6(7(13)3-5)9(17)15-8-4-14-11(19)16-10(8)18/h1-4H,(H,15,17)(H2,14,16,18,19).
What are the key properties of N-(2,4-dioxo-1H-pyrimidin-5-yl)-2,4-difluorobenzamide?
N-(2,4-dioxo-1H-pyrimidin-5-yl)-2,4-difluorobenzamide has a molecular weight of 267.19 g/mol, XLogP of 0.59, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxo-1H-pyrimidin-5-yl)-2,4-difluorobenzamide is sourced from PubChem (CID 108797381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).