3-[(2R)-2-(4-bromo-2-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one

C12H11BrFNO3 — CID 131743029

IUPAC3-[(2R)-2-(4-bromo-2-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](C(=O)N1CCOC1=O)c1ccc(Br)cc1F
InChIInChI=1S/C12H11BrFNO3/c1-7(9-3-2-8(13)6-10(9)14)11(16)15-4-5-18-12(15)17/h2-3,6-7H,4-5H2,1H3/t7-/m1/s1
InChIKeyFRMMRDABTHGNHC-SSDOTTSWSA-N
MW316.13 g/mol
LogP2.67
Rot. Bonds2

About 3-[(2R)-2-(4-bromo-2-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one

3-[(2R)-2-(4-bromo-2-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one (PubChem CID 131743029) has the molecular formula C12H11BrFNO3 and a molecular weight of 316.13 g/mol. Its IUPAC name is 3-[(2R)-2-(4-bromo-2-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(2R)-2-(4-bromo-2-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one
PubChem CID131743029
Molecular FormulaC12H11BrFNO3
Molecular Weight316.13 g/mol
Exact Mass314.99
IUPAC Name3-[(2R)-2-(4-bromo-2-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](C(=O)N1CCOC1=O)c1ccc(Br)cc1F
InChIInChI=1S/C12H11BrFNO3/c1-7(9-3-2-8(13)6-10(9)14)11(16)15-4-5-18-12(15)17/h2-3,6-7H,4-5H2,1H3/t7-/m1/s1
InChIKeyFRMMRDABTHGNHC-SSDOTTSWSA-N
XLogP2.67
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.13
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-(4-bromo-2-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(2R)-2-(4-bromo-2-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one (CID 131743029) is 3-[(2R)-2-(4-bromo-2-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(2R)-2-(4-bromo-2-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(2R)-2-(4-bromo-2-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one is C[C@@H](C(=O)N1CCOC1=O)c1ccc(Br)cc1F.
What is the InChIKey of 3-[(2R)-2-(4-bromo-2-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one?
The InChIKey is FRMMRDABTHGNHC-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H11BrFNO3/c1-7(9-3-2-8(13)6-10(9)14)11(16)15-4-5-18-12(15)17/h2-3,6-7H,4-5H2,1H3/t7-/m1/s1.
What are the key properties of 3-[(2R)-2-(4-bromo-2-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one?
3-[(2R)-2-(4-bromo-2-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one has a molecular weight of 316.13 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-(4-bromo-2-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 131743029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).