1-[2-[3-(2,5-dioxopyrrol-1-yl)phenyl]acetyl]-5-fluoropyrimidine-2,4-dione

C16H10FN3O5 — CID 10807295

IUPAC1-[2-[3-(2,5-dioxopyrrol-1-yl)phenyl]acetyl]-5-fluoropyrimidine-2,4-dione
SMILESO=C1C=CC(=O)N1c1cccc(CC(=O)n2cc(F)c(=O)[nH]c2=O)c1
InChIInChI=1S/C16H10FN3O5/c17-11-8-19(16(25)18-15(11)24)14(23)7-9-2-1-3-10(6-9)20-12(21)4-5-13(20)22/h1-6,8H,7H2,(H,18,24,25)
InChIKeyZEULMLPZSGRKPW-UHFFFAOYSA-N
MW343.27 g/mol
LogP-0.01
Rot. Bonds3

About 1-[2-[3-(2,5-dioxopyrrol-1-yl)phenyl]acetyl]-5-fluoropyrimidine-2,4-dione

1-[2-[3-(2,5-dioxopyrrol-1-yl)phenyl]acetyl]-5-fluoropyrimidine-2,4-dione (PubChem CID 10807295) has the molecular formula C16H10FN3O5 and a molecular weight of 343.27 g/mol. Its IUPAC name is 1-[2-[3-(2,5-dioxopyrrol-1-yl)phenyl]acetyl]-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[3-(2,5-dioxopyrrol-1-yl)phenyl]acetyl]-5-fluoropyrimidine-2,4-dione
PubChem CID10807295
Molecular FormulaC16H10FN3O5
Molecular Weight343.27 g/mol
Exact Mass343.06
IUPAC Name1-[2-[3-(2,5-dioxopyrrol-1-yl)phenyl]acetyl]-5-fluoropyrimidine-2,4-dione
SMILESO=C1C=CC(=O)N1c1cccc(CC(=O)n2cc(F)c(=O)[nH]c2=O)c1
InChIInChI=1S/C16H10FN3O5/c17-11-8-19(16(25)18-15(11)24)14(23)7-9-2-1-3-10(6-9)20-12(21)4-5-13(20)22/h1-6,8H,7H2,(H,18,24,25)
InChIKeyZEULMLPZSGRKPW-UHFFFAOYSA-N
XLogP-0.01
TPSA109.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[2-[2-[(2,6-dichlorophenyl)methyl]phenyl]acetyl]-5-fluoropyrimidine-2,4-dione
CID 58058410
5-fluoro-2,4-dioxopyrimidine-1-carbonyl chloride
CID 14451336
3-[3-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]phenyl]prop-2-enoic acid
CID 78945069
1-(5-bromopentanoyl)-5-fluoropyrimidine-2,4-dione
CID 125478680
5-fluoro-1-(2-oxo-3-phenylpropyl)pyrimidine-2,4-dione
CID 55219097
1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;propane
CID 160652387
5-fluoro-2,4-dioxo-N-[3-[1-(2-phenylacetyl)piperidin-4-yl]propyl]pyrimidine-1-carboxamide
CID 177371903
ethane;5-fluoro-N-methyl-2,4-dioxopyrimidine-1-carboxamide
CID 145209845
3-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]benzohydrazide
CID 63579069
5-fluoro-2,4-dioxo-N-[(pyridine-3-carbonylamino)methyl]pyrimidine-1-carboxamide
CID 88642874
1-[3-(2,5-dioxopyrrolidin-1-yl)phenyl]pyrrole-2,5-dione
CID 70995531
1-(3-phenylphenyl)pyrrole-2,5-dione
CID 930984

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(2,5-dioxopyrrol-1-yl)phenyl]acetyl]-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-[2-[3-(2,5-dioxopyrrol-1-yl)phenyl]acetyl]-5-fluoropyrimidine-2,4-dione (CID 10807295) is 1-[2-[3-(2,5-dioxopyrrol-1-yl)phenyl]acetyl]-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-[3-(2,5-dioxopyrrol-1-yl)phenyl]acetyl]-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-[2-[3-(2,5-dioxopyrrol-1-yl)phenyl]acetyl]-5-fluoropyrimidine-2,4-dione is O=C1C=CC(=O)N1c1cccc(CC(=O)n2cc(F)c(=O)[nH]c2=O)c1.
What is the InChIKey of 1-[2-[3-(2,5-dioxopyrrol-1-yl)phenyl]acetyl]-5-fluoropyrimidine-2,4-dione?
The InChIKey is ZEULMLPZSGRKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN3O5/c17-11-8-19(16(25)18-15(11)24)14(23)7-9-2-1-3-10(6-9)20-12(21)4-5-13(20)22/h1-6,8H,7H2,(H,18,24,25).
What are the key properties of 1-[2-[3-(2,5-dioxopyrrol-1-yl)phenyl]acetyl]-5-fluoropyrimidine-2,4-dione?
1-[2-[3-(2,5-dioxopyrrol-1-yl)phenyl]acetyl]-5-fluoropyrimidine-2,4-dione has a molecular weight of 343.27 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(2,5-dioxopyrrol-1-yl)phenyl]acetyl]-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 10807295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).