N-(2-amino-4-fluorophenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide

C12H10F2N4O3 — CID 63558377

IUPACN-(2-amino-4-fluorophenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide
SMILESNc1cc(F)ccc1NC(=O)Cn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C12H10F2N4O3/c13-6-1-2-9(8(15)3-6)16-10(19)5-18-4-7(14)11(20)17-12(18)21/h1-4H,5,15H2,(H,16,19)(H,17,20,21)
InChIKeyNTBKFWRCEIWJMY-UHFFFAOYSA-N
MW296.23 g/mol
LogP0.04
Rot. Bonds3

About N-(2-amino-4-fluorophenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide

N-(2-amino-4-fluorophenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 63558377) has the molecular formula C12H10F2N4O3 and a molecular weight of 296.23 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID63558377
Molecular FormulaC12H10F2N4O3
Molecular Weight296.23 g/mol
Exact Mass296.07
IUPAC NameN-(2-amino-4-fluorophenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide
SMILESNc1cc(F)ccc1NC(=O)Cn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C12H10F2N4O3/c13-6-1-2-9(8(15)3-6)16-10(19)5-18-4-7(14)11(20)17-12(18)21/h1-4H,5,15H2,(H,16,19)(H,17,20,21)
InChIKeyNTBKFWRCEIWJMY-UHFFFAOYSA-N
XLogP0.04
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.23
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide (CID 63558377) is N-(2-amino-4-fluorophenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide is Nc1cc(F)ccc1NC(=O)Cn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is NTBKFWRCEIWJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N4O3/c13-6-1-2-9(8(15)3-6)16-10(19)5-18-4-7(14)11(20)17-12(18)21/h1-4H,5,15H2,(H,16,19)(H,17,20,21).
What are the key properties of N-(2-amino-4-fluorophenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide?
N-(2-amino-4-fluorophenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 296.23 g/mol, XLogP of 0.04, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 63558377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).