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

C15H13FN4O6 — CID 7633263

IUPAC[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
SMILESO=C(COC(=O)Cn1ccc(=O)[nH]c1=O)NC(=O)Nc1ccccc1F
InChIInChI=1S/C15H13FN4O6/c16-9-3-1-2-4-10(9)17-14(24)18-12(22)8-26-13(23)7-20-6-5-11(21)19-15(20)25/h1-6H,7-8H2,(H,19,21,25)(H2,17,18,22,24)
InChIKeyTXDJKUCJKUWHLP-UHFFFAOYSA-N
MW364.29 g/mol
LogP-0.43
Rot. Bonds5

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

[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate (PubChem CID 7633263) has the molecular formula C15H13FN4O6 and a molecular weight of 364.29 g/mol. Its IUPAC name is [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate.

Molecular Properties

Compound Name[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
PubChem CID7633263
Molecular FormulaC15H13FN4O6
Molecular Weight364.29 g/mol
Exact Mass364.08
IUPAC Name[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
SMILESO=C(COC(=O)Cn1ccc(=O)[nH]c1=O)NC(=O)Nc1ccccc1F
InChIInChI=1S/C15H13FN4O6/c16-9-3-1-2-4-10(9)17-14(24)18-12(22)8-26-13(23)7-20-6-5-11(21)19-15(20)25/h1-6H,7-8H2,(H,19,21,25)(H2,17,18,22,24)
InChIKeyTXDJKUCJKUWHLP-UHFFFAOYSA-N
XLogP-0.43
TPSA139.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.29
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2-chloroanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 9063517
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 7632745
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 8814196
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 3,3-diphenylpropanoate
CID 7795318
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 7632710
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 7633214
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 7750216
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 7632771
[2-(3-methylanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 9063513
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 9063575
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2,2-diphenylacetate
CID 8578708
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
CID 9066166

Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate?
The IUPAC name of [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate (CID 7633263) is [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate.
What is the SMILES notation for [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate?
The canonical SMILES for [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate is O=C(COC(=O)Cn1ccc(=O)[nH]c1=O)NC(=O)Nc1ccccc1F.
What is the InChIKey of [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate?
The InChIKey is TXDJKUCJKUWHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O6/c16-9-3-1-2-4-10(9)17-14(24)18-12(22)8-26-13(23)7-20-6-5-11(21)19-15(20)25/h1-6H,7-8H2,(H,19,21,25)(H2,17,18,22,24).
What are the key properties of [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate?
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate has a molecular weight of 364.29 g/mol, XLogP of -0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate is sourced from PubChem (CID 7633263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).