3-[2-(4-fluorophenyl)-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one

C18H11FN2O3 — CID 95332682

IUPAC3-[2-(4-fluorophenyl)-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESO=C(Cn1cnc2c(oc3ccccc32)c1=O)c1ccc(F)cc1
InChIInChI=1S/C18H11FN2O3/c19-12-7-5-11(6-8-12)14(22)9-21-10-20-16-13-3-1-2-4-15(13)24-17(16)18(21)23/h1-8,10H,9H2
InChIKeyWHGABMMHOGPRIH-UHFFFAOYSA-N
MW322.30 g/mol
LogP3.16
Rot. Bonds3

About 3-[2-(4-fluorophenyl)-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one

3-[2-(4-fluorophenyl)-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one (PubChem CID 95332682) has the molecular formula C18H11FN2O3 and a molecular weight of 322.30 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
PubChem CID95332682
Molecular FormulaC18H11FN2O3
Molecular Weight322.30 g/mol
Exact Mass322.08
IUPAC Name3-[2-(4-fluorophenyl)-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESO=C(Cn1cnc2c(oc3ccccc32)c1=O)c1ccc(F)cc1
InChIInChI=1S/C18H11FN2O3/c19-12-7-5-11(6-8-12)14(22)9-21-10-20-16-13-3-1-2-4-15(13)24-17(16)18(21)23/h1-8,10H,9H2
InChIKeyWHGABMMHOGPRIH-UHFFFAOYSA-N
XLogP3.16
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.30
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-fluorophenyl)-2-methylpropyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 51214138
N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 36638707
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 38227244
3-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 31077311
(2-bromo-4-fluorophenyl)methyl 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetate
CID 24598673
4-chloro-N'-[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]benzohydrazide
CID 26721007
N-naphthalen-1-yl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 4808260
N-(2-bromophenyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 7802170
2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 55527065
N-(2-chlorophenyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 7802162
methyl 4-[2,5-dimethyl-3-[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]pyrrol-1-yl]benzoate
CID 4808349
2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-(propan-2-ylcarbamoyl)acetamide
CID 4808372

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[2-(4-fluorophenyl)-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one (CID 95332682) is 3-[2-(4-fluorophenyl)-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(4-fluorophenyl)-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[2-(4-fluorophenyl)-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one is O=C(Cn1cnc2c(oc3ccccc32)c1=O)c1ccc(F)cc1.
What is the InChIKey of 3-[2-(4-fluorophenyl)-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one?
The InChIKey is WHGABMMHOGPRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN2O3/c19-12-7-5-11(6-8-12)14(22)9-21-10-20-16-13-3-1-2-4-15(13)24-17(16)18(21)23/h1-8,10H,9H2.
What are the key properties of 3-[2-(4-fluorophenyl)-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one?
3-[2-(4-fluorophenyl)-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one has a molecular weight of 322.30 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 95332682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).