2-(5-bromo-4-fluoro-2-methylanilino)-N-(methylcarbamoyl)acetamide

C11H13BrFN3O2 — CID 99831900

IUPAC2-(5-bromo-4-fluoro-2-methylanilino)-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CNc1cc(Br)c(F)cc1C
InChIInChI=1S/C11H13BrFN3O2/c1-6-3-8(13)7(12)4-9(6)15-5-10(17)16-11(18)14-2/h3-4,15H,5H2,1-2H3,(H2,14,16,17,18)
InChIKeyUIQKWMBFXAAONO-UHFFFAOYSA-N
MW318.15 g/mol
LogP1.76
Rot. Bonds3

About 2-(5-bromo-4-fluoro-2-methylanilino)-N-(methylcarbamoyl)acetamide

2-(5-bromo-4-fluoro-2-methylanilino)-N-(methylcarbamoyl)acetamide (PubChem CID 99831900) has the molecular formula C11H13BrFN3O2 and a molecular weight of 318.15 g/mol. Its IUPAC name is 2-(5-bromo-4-fluoro-2-methylanilino)-N-(methylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-4-fluoro-2-methylanilino)-N-(methylcarbamoyl)acetamide
PubChem CID99831900
Molecular FormulaC11H13BrFN3O2
Molecular Weight318.15 g/mol
Exact Mass317.02
IUPAC Name2-(5-bromo-4-fluoro-2-methylanilino)-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CNc1cc(Br)c(F)cc1C
InChIInChI=1S/C11H13BrFN3O2/c1-6-3-8(13)7(12)4-9(6)15-5-10(17)16-11(18)14-2/h3-4,15H,5H2,1-2H3,(H2,14,16,17,18)
InChIKeyUIQKWMBFXAAONO-UHFFFAOYSA-N
XLogP1.76
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.15
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-4-fluoro-2-methylanilino)-N-(methylcarbamoyl)acetamide?
The IUPAC name of 2-(5-bromo-4-fluoro-2-methylanilino)-N-(methylcarbamoyl)acetamide (CID 99831900) is 2-(5-bromo-4-fluoro-2-methylanilino)-N-(methylcarbamoyl)acetamide.
What is the SMILES notation for 2-(5-bromo-4-fluoro-2-methylanilino)-N-(methylcarbamoyl)acetamide?
The canonical SMILES for 2-(5-bromo-4-fluoro-2-methylanilino)-N-(methylcarbamoyl)acetamide is CNC(=O)NC(=O)CNc1cc(Br)c(F)cc1C.
What is the InChIKey of 2-(5-bromo-4-fluoro-2-methylanilino)-N-(methylcarbamoyl)acetamide?
The InChIKey is UIQKWMBFXAAONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFN3O2/c1-6-3-8(13)7(12)4-9(6)15-5-10(17)16-11(18)14-2/h3-4,15H,5H2,1-2H3,(H2,14,16,17,18).
What are the key properties of 2-(5-bromo-4-fluoro-2-methylanilino)-N-(methylcarbamoyl)acetamide?
2-(5-bromo-4-fluoro-2-methylanilino)-N-(methylcarbamoyl)acetamide has a molecular weight of 318.15 g/mol, XLogP of 1.76, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-4-fluoro-2-methylanilino)-N-(methylcarbamoyl)acetamide is sourced from PubChem (CID 99831900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).