2-(6-bromo-2-oxo-4H-3,1-benzoxazin-1-yl)acetamide

C10H9BrN2O3 — CID 46894121

IUPAC2-(6-bromo-2-oxo-4H-3,1-benzoxazin-1-yl)acetamide
SMILESNC(=O)CN1C(=O)OCc2cc(Br)ccc21
InChIInChI=1S/C10H9BrN2O3/c11-7-1-2-8-6(3-7)5-16-10(15)13(8)4-9(12)14/h1-3H,4-5H2,(H2,12,14)
InChIKeyGDYADFVTPPRKOM-UHFFFAOYSA-N
MW285.10 g/mol
LogP1.39
Rot. Bonds2

About 2-(6-bromo-2-oxo-4H-3,1-benzoxazin-1-yl)acetamide

2-(6-bromo-2-oxo-4H-3,1-benzoxazin-1-yl)acetamide (PubChem CID 46894121) has the molecular formula C10H9BrN2O3 and a molecular weight of 285.10 g/mol. Its IUPAC name is 2-(6-bromo-2-oxo-4H-3,1-benzoxazin-1-yl)acetamide.

Molecular Properties

Compound Name2-(6-bromo-2-oxo-4H-3,1-benzoxazin-1-yl)acetamide
PubChem CID46894121
Molecular FormulaC10H9BrN2O3
Molecular Weight285.10 g/mol
Exact Mass283.98
IUPAC Name2-(6-bromo-2-oxo-4H-3,1-benzoxazin-1-yl)acetamide
SMILESNC(=O)CN1C(=O)OCc2cc(Br)ccc21
InChIInChI=1S/C10H9BrN2O3/c11-7-1-2-8-6(3-7)5-16-10(15)13(8)4-9(12)14/h1-3H,4-5H2,(H2,12,14)
InChIKeyGDYADFVTPPRKOM-UHFFFAOYSA-N
XLogP1.39
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.10
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2-oxo-4H-3,1-benzoxazin-1-yl)acetamide?
The IUPAC name of 2-(6-bromo-2-oxo-4H-3,1-benzoxazin-1-yl)acetamide (CID 46894121) is 2-(6-bromo-2-oxo-4H-3,1-benzoxazin-1-yl)acetamide.
What is the SMILES notation for 2-(6-bromo-2-oxo-4H-3,1-benzoxazin-1-yl)acetamide?
The canonical SMILES for 2-(6-bromo-2-oxo-4H-3,1-benzoxazin-1-yl)acetamide is NC(=O)CN1C(=O)OCc2cc(Br)ccc21.
What is the InChIKey of 2-(6-bromo-2-oxo-4H-3,1-benzoxazin-1-yl)acetamide?
The InChIKey is GDYADFVTPPRKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O3/c11-7-1-2-8-6(3-7)5-16-10(15)13(8)4-9(12)14/h1-3H,4-5H2,(H2,12,14).
What are the key properties of 2-(6-bromo-2-oxo-4H-3,1-benzoxazin-1-yl)acetamide?
2-(6-bromo-2-oxo-4H-3,1-benzoxazin-1-yl)acetamide has a molecular weight of 285.10 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2-oxo-4H-3,1-benzoxazin-1-yl)acetamide is sourced from PubChem (CID 46894121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).