N-[(2,4-difluorophenyl)methyl]-N-methyl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide

C20H15F2N3O3 — CID 38227244

IUPACN-[(2,4-difluorophenyl)methyl]-N-methyl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
SMILESCN(Cc1ccc(F)cc1F)C(=O)Cn1cnc2c(oc3ccccc32)c1=O
InChIInChI=1S/C20H15F2N3O3/c1-24(9-12-6-7-13(21)8-15(12)22)17(26)10-25-11-23-18-14-4-2-3-5-16(14)28-19(18)20(25)27/h2-8,11H,9-10H2,1H3
InChIKeyABSQFLXWCVEUSZ-UHFFFAOYSA-N
MW383.35 g/mol
LogP3.08
Rot. Bonds4

About N-[(2,4-difluorophenyl)methyl]-N-methyl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide

N-[(2,4-difluorophenyl)methyl]-N-methyl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide (PubChem CID 38227244) has the molecular formula C20H15F2N3O3 and a molecular weight of 383.35 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-N-methyl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-N-methyl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
PubChem CID38227244
Molecular FormulaC20H15F2N3O3
Molecular Weight383.35 g/mol
Exact Mass383.11
IUPAC NameN-[(2,4-difluorophenyl)methyl]-N-methyl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
SMILESCN(Cc1ccc(F)cc1F)C(=O)Cn1cnc2c(oc3ccccc32)c1=O
InChIInChI=1S/C20H15F2N3O3/c1-24(9-12-6-7-13(21)8-15(12)22)17(26)10-25-11-23-18-14-4-2-3-5-16(14)28-19(18)20(25)27/h2-8,11H,9-10H2,1H3
InChIKeyABSQFLXWCVEUSZ-UHFFFAOYSA-N
XLogP3.08
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.35
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(4-fluorophenyl)-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 95332682
(2-bromo-4-fluorophenyl)methyl 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetate
CID 24598673
N-methyl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-piperidin-4-ylacetamide;hydrochloride
CID 119443323
N-methyl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide
CID 26783345
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 7735859
N-[(2,4-difluorophenyl)methyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylacetamide
CID 55537248
methyl 3-[benzyl-[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]propanoate
CID 55513165
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
[2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetate
CID 46821953
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 32993595
N-(2-fluoro-5-methylsulfonylphenyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 55385210

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-methyl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-methyl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide (CID 38227244) is N-[(2,4-difluorophenyl)methyl]-N-methyl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-N-methyl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-N-methyl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide is CN(Cc1ccc(F)cc1F)C(=O)Cn1cnc2c(oc3ccccc32)c1=O.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-N-methyl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide?
The InChIKey is ABSQFLXWCVEUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3O3/c1-24(9-12-6-7-13(21)8-15(12)22)17(26)10-25-11-23-18-14-4-2-3-5-16(14)28-19(18)20(25)27/h2-8,11H,9-10H2,1H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-N-methyl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide?
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide has a molecular weight of 383.35 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-N-methyl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 38227244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).