8-bromo-2-(2-chloro-4-fluorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one

C16H7BrClFN2O2 — CID 135867903

IUPAC8-bromo-2-(2-chloro-4-fluorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccc(F)cc2Cl)nc2c1oc1ccc(Br)cc12
InChIInChI=1S/C16H7BrClFN2O2/c17-7-1-4-12-10(5-7)13-14(23-12)16(22)21-15(20-13)9-3-2-8(19)6-11(9)18/h1-6H,(H,20,21,22)
InChIKeyPDRYKKBDIUESOF-UHFFFAOYSA-N
MW393.60 g/mol
LogP4.89
Rot. Bonds1

About 8-bromo-2-(2-chloro-4-fluorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one

8-bromo-2-(2-chloro-4-fluorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one (PubChem CID 135867903) has the molecular formula C16H7BrClFN2O2 and a molecular weight of 393.60 g/mol. Its IUPAC name is 8-bromo-2-(2-chloro-4-fluorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name8-bromo-2-(2-chloro-4-fluorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
PubChem CID135867903
Molecular FormulaC16H7BrClFN2O2
Molecular Weight393.60 g/mol
Exact Mass391.94
IUPAC Name8-bromo-2-(2-chloro-4-fluorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccc(F)cc2Cl)nc2c1oc1ccc(Br)cc12
InChIInChI=1S/C16H7BrClFN2O2/c17-7-1-4-12-10(5-7)13-14(23-12)16(22)21-15(20-13)9-3-2-8(19)6-11(9)18/h1-6H,(H,20,21,22)
InChIKeyPDRYKKBDIUESOF-UHFFFAOYSA-N
XLogP4.89
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.60
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-(2-chloro-4-fluorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The IUPAC name of 8-bromo-2-(2-chloro-4-fluorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one (CID 135867903) is 8-bromo-2-(2-chloro-4-fluorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 8-bromo-2-(2-chloro-4-fluorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The canonical SMILES for 8-bromo-2-(2-chloro-4-fluorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one is O=c1[nH]c(-c2ccc(F)cc2Cl)nc2c1oc1ccc(Br)cc12.
What is the InChIKey of 8-bromo-2-(2-chloro-4-fluorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The InChIKey is PDRYKKBDIUESOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7BrClFN2O2/c17-7-1-4-12-10(5-7)13-14(23-12)16(22)21-15(20-13)9-3-2-8(19)6-11(9)18/h1-6H,(H,20,21,22).
What are the key properties of 8-bromo-2-(2-chloro-4-fluorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
8-bromo-2-(2-chloro-4-fluorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one has a molecular weight of 393.60 g/mol, XLogP of 4.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-(2-chloro-4-fluorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135867903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).