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

C16H7BrCl2N2O2 — CID 135867997

IUPAC8-bromo-2-(2,3-dichlorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2cccc(Cl)c2Cl)nc2c1oc1ccc(Br)cc12
InChIInChI=1S/C16H7BrCl2N2O2/c17-7-4-5-11-9(6-7)13-14(23-11)16(22)21-15(20-13)8-2-1-3-10(18)12(8)19/h1-6H,(H,20,21,22)
InChIKeyURLSXEUWUQRQEM-UHFFFAOYSA-N
MW410.05 g/mol
LogP5.41
Rot. Bonds1

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

8-bromo-2-(2,3-dichlorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one (PubChem CID 135867997) has the molecular formula C16H7BrCl2N2O2 and a molecular weight of 410.05 g/mol. Its IUPAC name is 8-bromo-2-(2,3-dichlorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name8-bromo-2-(2,3-dichlorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
PubChem CID135867997
Molecular FormulaC16H7BrCl2N2O2
Molecular Weight410.05 g/mol
Exact Mass407.91
IUPAC Name8-bromo-2-(2,3-dichlorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2cccc(Cl)c2Cl)nc2c1oc1ccc(Br)cc12
InChIInChI=1S/C16H7BrCl2N2O2/c17-7-4-5-11-9(6-7)13-14(23-11)16(22)21-15(20-13)8-2-1-3-10(18)12(8)19/h1-6H,(H,20,21,22)
InChIKeyURLSXEUWUQRQEM-UHFFFAOYSA-N
XLogP5.41
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.05
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-bromo-2-(2-chlorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135566645
8-bromo-2-(2-chloro-3-methoxyphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135867976
8-bromo-2-(2-hydroxyphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135867999
8-bromo-2-(2-iodophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135867908
8-bromo-2-(2-methylphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;ethane
CID 143831080
2-(2-chlorophenyl)-8-hydroxy-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135867966
8-bromo-2-(4-chlorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135867950
8-bromo-2-[2-chloro-5-(2H-pyridin-1-yl)phenyl]-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 154504995
2-(4-amino-2-methylphenyl)-8-bromo-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135868000
8-bromo-2-methyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135498125
N-[4-(8-bromo-4-oxo-3H-[1]benzofuro[3,2-d]pyrimidin-2-yl)-3-chlorophenyl]-2,3-dihydrothiadiazole-4-carboxamide
CID 143831024
8-bromo-2-propan-2-yl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;ethane
CID 143831013

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-(2,3-dichlorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The IUPAC name of 8-bromo-2-(2,3-dichlorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one (CID 135867997) is 8-bromo-2-(2,3-dichlorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 8-bromo-2-(2,3-dichlorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The canonical SMILES for 8-bromo-2-(2,3-dichlorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one is O=c1[nH]c(-c2cccc(Cl)c2Cl)nc2c1oc1ccc(Br)cc12.
What is the InChIKey of 8-bromo-2-(2,3-dichlorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The InChIKey is URLSXEUWUQRQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7BrCl2N2O2/c17-7-4-5-11-9(6-7)13-14(23-11)16(22)21-15(20-13)8-2-1-3-10(18)12(8)19/h1-6H,(H,20,21,22).
What are the key properties of 8-bromo-2-(2,3-dichlorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
8-bromo-2-(2,3-dichlorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one has a molecular weight of 410.05 g/mol, XLogP of 5.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-(2,3-dichlorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135867997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).