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

C20H14Cl2FN3O4 — CID 91894861

IUPACN-(3-chloro-4-fluorophenyl)-2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
SMILESO=C(CN1C(=O)NC(c2ccc(Cl)cc2)C2=C1COC2=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C20H14Cl2FN3O4/c21-11-3-1-10(2-4-11)18-17-15(9-30-19(17)28)26(20(29)25-18)8-16(27)24-12-5-6-14(23)13(22)7-12/h1-7,18H,8-9H2,(H,24,27)(H,25,29)
InChIKeyDUFRQVOPRWOGGH-UHFFFAOYSA-N
MW450.25 g/mol
LogP3.65
Rot. Bonds4

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

N-(3-chloro-4-fluorophenyl)-2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide (PubChem CID 91894861) has the molecular formula C20H14Cl2FN3O4 and a molecular weight of 450.25 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
PubChem CID91894861
Molecular FormulaC20H14Cl2FN3O4
Molecular Weight450.25 g/mol
Exact Mass449.03
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
SMILESO=C(CN1C(=O)NC(c2ccc(Cl)cc2)C2=C1COC2=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C20H14Cl2FN3O4/c21-11-3-1-10(2-4-11)18-17-15(9-30-19(17)28)26(20(29)25-18)8-16(27)24-12-5-6-14(23)13(22)7-12/h1-7,18H,8-9H2,(H,24,27)(H,25,29)
InChIKeyDUFRQVOPRWOGGH-UHFFFAOYSA-N
XLogP3.65
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.25
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide (CID 91894861) is N-(3-chloro-4-fluorophenyl)-2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide is O=C(CN1C(=O)NC(c2ccc(Cl)cc2)C2=C1COC2=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide?
The InChIKey is DUFRQVOPRWOGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2FN3O4/c21-11-3-1-10(2-4-11)18-17-15(9-30-19(17)28)26(20(29)25-18)8-16(27)24-12-5-6-14(23)13(22)7-12/h1-7,18H,8-9H2,(H,24,27)(H,25,29).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide?
N-(3-chloro-4-fluorophenyl)-2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide has a molecular weight of 450.25 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide is sourced from PubChem (CID 91894861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).