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

C12H8F3N3O3 — CID 108797111

IUPACN-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1c[nH]c(=O)[nH]c1=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H8F3N3O3/c13-12(14,15)7-3-1-6(2-4-7)9(19)17-8-5-16-11(21)18-10(8)20/h1-5H,(H,17,19)(H2,16,18,20,21)
InChIKeyZWMTWSPGCHQKAW-UHFFFAOYSA-N
MW299.21 g/mol
LogP1.33
Rot. Bonds2

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

N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(trifluoromethyl)benzamide (PubChem CID 108797111) has the molecular formula C12H8F3N3O3 and a molecular weight of 299.21 g/mol. Its IUPAC name is N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(trifluoromethyl)benzamide
PubChem CID108797111
Molecular FormulaC12H8F3N3O3
Molecular Weight299.21 g/mol
Exact Mass299.05
IUPAC NameN-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1c[nH]c(=O)[nH]c1=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H8F3N3O3/c13-12(14,15)7-3-1-6(2-4-7)9(19)17-8-5-16-11(21)18-10(8)20/h1-5H,(H,17,19)(H2,16,18,20,21)
InChIKeyZWMTWSPGCHQKAW-UHFFFAOYSA-N
XLogP1.33
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-phenylbenzamide
CID 810233
N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 714768
N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-methyl-4-nitrobenzamide
CID 3718299
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-4-(trifluoromethoxy)benzamide
CID 55488373
1,3-bis(2,4-dioxo-1H-pyrimidin-5-yl)thiourea
CID 3307746
N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-4-(trifluoromethyl)benzamide
CID 108933525
N-(6-sulfanylidene-1H-pyridin-3-yl)-4-(trifluoromethyl)benzamide
CID 82055428
N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790358
methyl 4-[(2,4-dioxo-1H-pyrimidin-5-yl)carbamoylamino]benzoate
CID 46390718
N-(2,5-dimethylphenyl)-4-(trifluoromethyl)benzamide
CID 4801581
N-(2,3-dimethylphenyl)-4-(trifluoromethyl)benzamide
CID 2102456
N-(2-cyanophenyl)-4-(trifluoromethyl)benzamide
CID 9115538

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(trifluoromethyl)benzamide (CID 108797111) is N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(trifluoromethyl)benzamide is O=C(Nc1c[nH]c(=O)[nH]c1=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is ZWMTWSPGCHQKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N3O3/c13-12(14,15)7-3-1-6(2-4-7)9(19)17-8-5-16-11(21)18-10(8)20/h1-5H,(H,17,19)(H2,16,18,20,21).
What are the key properties of N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(trifluoromethyl)benzamide?
N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 299.21 g/mol, XLogP of 1.33, 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)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 108797111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).