N-(2,5-difluorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide

C26H19F2N3O4 — CID 53334662

IUPACN-(2,5-difluorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide
SMILESO=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2oc3ccccc3c21)Nc1cc(F)ccc1F
InChIInChI=1S/C26H19F2N3O4/c27-17-10-11-19(28)20(14-17)29-22(32)15-31-23-18-8-4-5-9-21(18)35-24(23)25(33)30(26(31)34)13-12-16-6-2-1-3-7-16/h1-11,14H,12-13,15H2,(H,29,32)
InChIKeyUCECGGFEWAGSMY-UHFFFAOYSA-N
MW475.45 g/mol
LogP4.07
Rot. Bonds6

About N-(2,5-difluorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide

N-(2,5-difluorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide (PubChem CID 53334662) has the molecular formula C26H19F2N3O4 and a molecular weight of 475.45 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide
PubChem CID53334662
Molecular FormulaC26H19F2N3O4
Molecular Weight475.45 g/mol
Exact Mass475.13
IUPAC NameN-(2,5-difluorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide
SMILESO=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2oc3ccccc3c21)Nc1cc(F)ccc1F
InChIInChI=1S/C26H19F2N3O4/c27-17-10-11-19(28)20(14-17)29-22(32)15-31-23-18-8-4-5-9-21(18)35-24(23)25(33)30(26(31)34)13-12-16-6-2-1-3-7-16/h1-11,14H,12-13,15H2,(H,29,32)
InChIKeyUCECGGFEWAGSMY-UHFFFAOYSA-N
XLogP4.07
TPSA86.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.45
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide (CID 53334662) is N-(2,5-difluorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide is O=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2oc3ccccc3c21)Nc1cc(F)ccc1F.
What is the InChIKey of N-(2,5-difluorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide?
The InChIKey is UCECGGFEWAGSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F2N3O4/c27-17-10-11-19(28)20(14-17)29-22(32)15-31-23-18-8-4-5-9-21(18)35-24(23)25(33)30(26(31)34)13-12-16-6-2-1-3-7-16/h1-11,14H,12-13,15H2,(H,29,32).
What are the key properties of N-(2,5-difluorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide?
N-(2,5-difluorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide has a molecular weight of 475.45 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide is sourced from PubChem (CID 53334662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).