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

C22H20ClN3O5 — CID 91894852

IUPAC2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CN1C(=O)NC(c2ccc(Cl)cc2)C2=C1COC2=O
InChIInChI=1S/C22H20ClN3O5/c1-2-30-17-6-4-3-5-15(17)24-18(27)11-26-16-12-31-21(28)19(16)20(25-22(26)29)13-7-9-14(23)10-8-13/h3-10,20H,2,11-12H2,1H3,(H,24,27)(H,25,29)
InChIKeyONEKDIWDPPQWMB-UHFFFAOYSA-N
MW441.87 g/mol
LogP3.25
Rot. Bonds6

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

2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(2-ethoxyphenyl)acetamide (PubChem CID 91894852) has the molecular formula C22H20ClN3O5 and a molecular weight of 441.87 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-(2-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(2-ethoxyphenyl)acetamide
PubChem CID91894852
Molecular FormulaC22H20ClN3O5
Molecular Weight441.87 g/mol
Exact Mass441.11
IUPAC Name2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CN1C(=O)NC(c2ccc(Cl)cc2)C2=C1COC2=O
InChIInChI=1S/C22H20ClN3O5/c1-2-30-17-6-4-3-5-15(17)24-18(27)11-26-16-12-31-21(28)19(16)20(25-22(26)29)13-7-9-14(23)10-8-13/h3-10,20H,2,11-12H2,1H3,(H,24,27)(H,25,29)
InChIKeyONEKDIWDPPQWMB-UHFFFAOYSA-N
XLogP3.25
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.87
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-(2-ethoxyphenyl)acetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(2-ethoxyphenyl)acetamide (CID 91894852) is 2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(2-ethoxyphenyl)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-(2-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(2-ethoxyphenyl)acetamide is CCOc1ccccc1NC(=O)CN1C(=O)NC(c2ccc(Cl)cc2)C2=C1COC2=O.
What is the InChIKey of 2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(2-ethoxyphenyl)acetamide?
The InChIKey is ONEKDIWDPPQWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O5/c1-2-30-17-6-4-3-5-15(17)24-18(27)11-26-16-12-31-21(28)19(16)20(25-22(26)29)13-7-9-14(23)10-8-13/h3-10,20H,2,11-12H2,1H3,(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-(2-ethoxyphenyl)acetamide?
2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(2-ethoxyphenyl)acetamide has a molecular weight of 441.87 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 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-(2-ethoxyphenyl)acetamide is sourced from PubChem (CID 91894852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).