N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide

C13H9BrF3N3O3 — CID 24514741

IUPACN-[4-bromo-3-(trifluoromethyl)phenyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C13H9BrF3N3O3/c14-9-2-1-7(5-8(9)13(15,16)17)18-11(22)6-20-4-3-10(21)19-12(20)23/h1-5H,6H2,(H,18,22)(H,19,21,23)
InChIKeyPENYLXXXFGTNQS-UHFFFAOYSA-N
MW392.13 g/mol
LogP1.96
Rot. Bonds3

About N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide

N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 24514741) has the molecular formula C13H9BrF3N3O3 and a molecular weight of 392.13 g/mol. Its IUPAC name is N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-bromo-3-(trifluoromethyl)phenyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID24514741
Molecular FormulaC13H9BrF3N3O3
Molecular Weight392.13 g/mol
Exact Mass390.98
IUPAC NameN-[4-bromo-3-(trifluoromethyl)phenyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C13H9BrF3N3O3/c14-9-2-1-7(5-8(9)13(15,16)17)18-11(22)6-20-4-3-10(21)19-12(20)23/h1-5H,6H2,(H,18,22)(H,19,21,23)
InChIKeyPENYLXXXFGTNQS-UHFFFAOYSA-N
XLogP1.96
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.13
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide (CID 24514741) is N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide is O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is PENYLXXXFGTNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF3N3O3/c14-9-2-1-7(5-8(9)13(15,16)17)18-11(22)6-20-4-3-10(21)19-12(20)23/h1-5H,6H2,(H,18,22)(H,19,21,23).
What are the key properties of N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide?
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 392.13 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 24514741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).