[2-(4-fluoroanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate

C14H12FN3O5 — CID 4851584

IUPAC[2-(4-fluoroanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
SMILESO=C(COC(=O)Cn1ccc(=O)[nH]c1=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H12FN3O5/c15-9-1-3-10(4-2-9)16-12(20)8-23-13(21)7-18-6-5-11(19)17-14(18)22/h1-6H,7-8H2,(H,16,20)(H,17,19,22)
InChIKeyZAJPMHJJTDJWPK-UHFFFAOYSA-N
MW321.26 g/mol
LogP-0.14
Rot. Bonds5

About [2-(4-fluoroanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate

[2-(4-fluoroanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate (PubChem CID 4851584) has the molecular formula C14H12FN3O5 and a molecular weight of 321.26 g/mol. Its IUPAC name is [2-(4-fluoroanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate.

Molecular Properties

Compound Name[2-(4-fluoroanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
PubChem CID4851584
Molecular FormulaC14H12FN3O5
Molecular Weight321.26 g/mol
Exact Mass321.08
IUPAC Name[2-(4-fluoroanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
SMILESO=C(COC(=O)Cn1ccc(=O)[nH]c1=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H12FN3O5/c15-9-1-3-10(4-2-9)16-12(20)8-23-13(21)7-18-6-5-11(19)17-14(18)22/h1-6H,7-8H2,(H,16,20)(H,17,19,22)
InChIKeyZAJPMHJJTDJWPK-UHFFFAOYSA-N
XLogP-0.14
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-Oxo-2-[phenyl(2-propanyl)amino](2S)-2-(carbamoylamino)propanoate
CID 2122397
[2-(2-fluoroanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate
CID 2447912
(2-Anilino-2-oxoethyl) 3-(2-oxo-1,3-dihydroimidazol-4-yl)propanoate
CID 655712
[2-(2-fluoroanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate
CID 2100846
[2-(N-ethylanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate
CID 2356847
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 17402424
(2-anilino-2-oxoethyl) 2,4-dioxo-1H-pyrimidine-5-carboxylate
CID 2100676
[2-(3-Fluoroanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 2403639
(2-Anilino-2-oxoethyl) 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
CID 4854581
[2-(N-ethylanilino)-2-oxoethyl] 4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-pentylamino]-4-oxobutanoate
CID 24981849
2-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-N-(2-fluorophenyl)acetamide
CID 17508072
[2-(N-methylanilino)-2-oxoethyl] 4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-pentylamino]-4-oxobutanoate
CID 24978814

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoroanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate?
The IUPAC name of [2-(4-fluoroanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate (CID 4851584) is [2-(4-fluoroanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate.
What is the SMILES notation for [2-(4-fluoroanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate?
The canonical SMILES for [2-(4-fluoroanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate is O=C(COC(=O)Cn1ccc(=O)[nH]c1=O)Nc1ccc(F)cc1.
What is the InChIKey of [2-(4-fluoroanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate?
The InChIKey is ZAJPMHJJTDJWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O5/c15-9-1-3-10(4-2-9)16-12(20)8-23-13(21)7-18-6-5-11(19)17-14(18)22/h1-6H,7-8H2,(H,16,20)(H,17,19,22).
What are the key properties of [2-(4-fluoroanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate?
[2-(4-fluoroanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate has a molecular weight of 321.26 g/mol, XLogP of -0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoroanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate is sourced from PubChem (CID 4851584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).