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

C20H14ClF2N3O4 — CID 91906868

IUPAC2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(3,5-difluorophenyl)acetamide
SMILESO=C(CN1C(=O)NC(c2ccc(Cl)cc2)C2=C1COC2=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C20H14ClF2N3O4/c21-11-3-1-10(2-4-11)18-17-15(9-30-19(17)28)26(20(29)25-18)8-16(27)24-14-6-12(22)5-13(23)7-14/h1-7,18H,8-9H2,(H,24,27)(H,25,29)
InChIKeyVAJUOOUWPDVZNF-UHFFFAOYSA-N
MW433.80 g/mol
LogP3.13
Rot. Bonds4

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

2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(3,5-difluorophenyl)acetamide (PubChem CID 91906868) has the molecular formula C20H14ClF2N3O4 and a molecular weight of 433.80 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-(3,5-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(3,5-difluorophenyl)acetamide
PubChem CID91906868
Molecular FormulaC20H14ClF2N3O4
Molecular Weight433.80 g/mol
Exact Mass433.06
IUPAC Name2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(3,5-difluorophenyl)acetamide
SMILESO=C(CN1C(=O)NC(c2ccc(Cl)cc2)C2=C1COC2=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C20H14ClF2N3O4/c21-11-3-1-10(2-4-11)18-17-15(9-30-19(17)28)26(20(29)25-18)8-16(27)24-14-6-12(22)5-13(23)7-14/h1-7,18H,8-9H2,(H,24,27)(H,25,29)
InChIKeyVAJUOOUWPDVZNF-UHFFFAOYSA-N
XLogP3.13
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.80
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-(3,5-difluorophenyl)acetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(3,5-difluorophenyl)acetamide (CID 91906868) is 2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(3,5-difluorophenyl)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-(3,5-difluorophenyl)acetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(3,5-difluorophenyl)acetamide is O=C(CN1C(=O)NC(c2ccc(Cl)cc2)C2=C1COC2=O)Nc1cc(F)cc(F)c1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(3,5-difluorophenyl)acetamide?
The InChIKey is VAJUOOUWPDVZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF2N3O4/c21-11-3-1-10(2-4-11)18-17-15(9-30-19(17)28)26(20(29)25-18)8-16(27)24-14-6-12(22)5-13(23)7-14/h1-7,18H,8-9H2,(H,24,27)(H,25,29).
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-(3,5-difluorophenyl)acetamide?
2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(3,5-difluorophenyl)acetamide has a molecular weight of 433.80 g/mol, XLogP of 3.13, 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-(3,5-difluorophenyl)acetamide is sourced from PubChem (CID 91906868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).