[2-(2-fluoroanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate

C13H10FN3O5 — CID 2100846

IUPAC[2-(2-fluoroanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate
SMILESO=C(COC(=O)c1cc(=O)[nH]c(=O)[nH]1)Nc1ccccc1F
InChIInChI=1S/C13H10FN3O5/c14-7-3-1-2-4-8(7)15-11(19)6-22-12(20)9-5-10(18)17-13(21)16-9/h1-5H,6H2,(H,15,19)(H2,16,17,18,21)
InChIKeyCQSLUZGRZVCAJC-UHFFFAOYSA-N
MW307.24 g/mol
LogP-0.00
Rot. Bonds4

About [2-(2-fluoroanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate

[2-(2-fluoroanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate (PubChem CID 2100846) has the molecular formula C13H10FN3O5 and a molecular weight of 307.24 g/mol. Its IUPAC name is [2-(2-fluoroanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate.

Molecular Properties

Compound Name[2-(2-fluoroanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate
PubChem CID2100846
Molecular FormulaC13H10FN3O5
Molecular Weight307.24 g/mol
Exact Mass307.06
IUPAC Name[2-(2-fluoroanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate
SMILESO=C(COC(=O)c1cc(=O)[nH]c(=O)[nH]1)Nc1ccccc1F
InChIInChI=1S/C13H10FN3O5/c14-7-3-1-2-4-8(7)15-11(19)6-22-12(20)9-5-10(18)17-13(21)16-9/h1-5H,6H2,(H,15,19)(H2,16,17,18,21)
InChIKeyCQSLUZGRZVCAJC-UHFFFAOYSA-N
XLogP-0.00
TPSA121.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.24
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-(4-fluoroanilino)-2-oxoacetate
CID 2774365
[2-(2-fluoroanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate
CID 2447912
[2-(3,4-Difluoroanilino)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 2584018
[2-(4-Fluoroanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 4851584
bis[2-(2-fluoroanilino)-2-oxoethyl] (E)-but-2-enedioate
CID 6293464
[2-(3-chloroanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate
CID 2100847
[2-(N-ethylanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate
CID 2356847
[2-(3-fluoroanilino)-2-oxoethyl] (E)-but-2-enoate
CID 2407821
[2-(2-bromoanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate
CID 2554041
[2-(3-nitroanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate
CID 2554078
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate
CID 2100848
[2-(4-Fluoroanilino)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 2584074

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoroanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate?
The IUPAC name of [2-(2-fluoroanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate (CID 2100846) is [2-(2-fluoroanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate.
What is the SMILES notation for [2-(2-fluoroanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate?
The canonical SMILES for [2-(2-fluoroanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate is O=C(COC(=O)c1cc(=O)[nH]c(=O)[nH]1)Nc1ccccc1F.
What is the InChIKey of [2-(2-fluoroanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate?
The InChIKey is CQSLUZGRZVCAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O5/c14-7-3-1-2-4-8(7)15-11(19)6-22-12(20)9-5-10(18)17-13(21)16-9/h1-5H,6H2,(H,15,19)(H2,16,17,18,21).
What are the key properties of [2-(2-fluoroanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate?
[2-(2-fluoroanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate has a molecular weight of 307.24 g/mol, XLogP of -0.00, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoroanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate is sourced from PubChem (CID 2100846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).