2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide

C21H15ClF3N3O4 — CID 91894892

IUPAC2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1C(=O)NC(c2ccc(Cl)cc2)C2=C1COC2=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H15ClF3N3O4/c22-13-5-1-11(2-6-13)18-17-15(10-32-19(17)30)28(20(31)27-18)9-16(29)26-14-7-3-12(4-8-14)21(23,24)25/h1-8,18H,9-10H2,(H,26,29)(H,27,31)
InChIKeyMHVYOUZFVMWALS-UHFFFAOYSA-N
MW465.82 g/mol
LogP3.87
Rot. Bonds4

About 2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide

2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 91894892) has the molecular formula C21H15ClF3N3O4 and a molecular weight of 465.82 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID91894892
Molecular FormulaC21H15ClF3N3O4
Molecular Weight465.82 g/mol
Exact Mass465.07
IUPAC Name2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1C(=O)NC(c2ccc(Cl)cc2)C2=C1COC2=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H15ClF3N3O4/c22-13-5-1-11(2-6-13)18-17-15(10-32-19(17)30)28(20(31)27-18)9-16(29)26-14-7-3-12(4-8-14)21(23,24)25/h1-8,18H,9-10H2,(H,26,29)(H,27,31)
InChIKeyMHVYOUZFVMWALS-UHFFFAOYSA-N
XLogP3.87
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.82
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[4-(trifluoromethyl)phenyl]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 2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide (CID 91894892) is 2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide is O=C(CN1C(=O)NC(c2ccc(Cl)cc2)C2=C1COC2=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is MHVYOUZFVMWALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF3N3O4/c22-13-5-1-11(2-6-13)18-17-15(10-32-19(17)30)28(20(31)27-18)9-16(29)26-14-7-3-12(4-8-14)21(23,24)25/h1-8,18H,9-10H2,(H,26,29)(H,27,31).
What are the key properties of 2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 465.82 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 91894892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).