2-[3-(4-fluorophenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(3-methylphenyl)acetamide

C25H18FN3O4 — CID 18563318

IUPAC2-[3-(4-fluorophenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2c(=O)n(-c3ccc(F)cc3)c(=O)c3oc4ccccc4c32)c1
InChIInChI=1S/C25H18FN3O4/c1-15-5-4-6-17(13-15)27-21(30)14-28-22-19-7-2-3-8-20(19)33-23(22)24(31)29(25(28)32)18-11-9-16(26)10-12-18/h2-13H,14H2,1H3,(H,27,30)
InChIKeyVHPABYWFZRRIFI-UHFFFAOYSA-N
MW443.43 g/mol
LogP3.98
Rot. Bonds4

About 2-[3-(4-fluorophenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(3-methylphenyl)acetamide

2-[3-(4-fluorophenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(3-methylphenyl)acetamide (PubChem CID 18563318) has the molecular formula C25H18FN3O4 and a molecular weight of 443.43 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(3-methylphenyl)acetamide
PubChem CID18563318
Molecular FormulaC25H18FN3O4
Molecular Weight443.43 g/mol
Exact Mass443.13
IUPAC Name2-[3-(4-fluorophenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2c(=O)n(-c3ccc(F)cc3)c(=O)c3oc4ccccc4c32)c1
InChIInChI=1S/C25H18FN3O4/c1-15-5-4-6-17(13-15)27-21(30)14-28-22-19-7-2-3-8-20(19)33-23(22)24(31)29(25(28)32)18-11-9-16(26)10-12-18/h2-13H,14H2,1H3,(H,27,30)
InChIKeyVHPABYWFZRRIFI-UHFFFAOYSA-N
XLogP3.98
TPSA86.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetylphenyl)-2-[3-(4-fluorophenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide
CID 18563331
N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(4-methylphenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide
CID 16798892
1-[2-(azepan-1-yl)-2-oxoethyl]-3-(4-fluorophenyl)-[1]benzofuro[3,2-d]pyrimidine-2,4-dione
CID 16798895
ethyl 2-[[2-[3-(4-methylphenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetyl]amino]acetate
CID 18563313
N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(4-methylphenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide
CID 18563315
N-(3-chlorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide
CID 53365733
2-[5,6-dimethyl-3-(3-methylphenyl)-2,4-dioxopyrrolo[3,2-d]pyrimidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 91906853
2-[3-(4-fluorophenyl)-5,6-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 91917123
N-(3-methylphenyl)-2-[(4-oxo-3-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 2150441
2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-phenylacetamide
CID 20900412
2-[4-[2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]quinazolin-3-yl]phenyl]-N-(3-methylphenyl)acetamide
CID 50762715
2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(4-methylphenyl)acetamide
CID 18591039

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[3-(4-fluorophenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(3-methylphenyl)acetamide (CID 18563318) is 2-[3-(4-fluorophenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[3-(4-fluorophenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)Cn2c(=O)n(-c3ccc(F)cc3)c(=O)c3oc4ccccc4c32)c1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is VHPABYWFZRRIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN3O4/c1-15-5-4-6-17(13-15)27-21(30)14-28-22-19-7-2-3-8-20(19)33-23(22)24(31)29(25(28)32)18-11-9-16(26)10-12-18/h2-13H,14H2,1H3,(H,27,30).
What are the key properties of 2-[3-(4-fluorophenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(3-methylphenyl)acetamide?
2-[3-(4-fluorophenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 443.43 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 18563318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).