4-bromo-N-[(3S)-2-oxooxolan-3-yl]benzamide

C11H10BrNO3 — CID 38988802

IUPAC4-bromo-N-[(3S)-2-oxooxolan-3-yl]benzamide
SMILESO=C(N[C@H]1CCOC1=O)c1ccc(Br)cc1
InChIInChI=1S/C11H10BrNO3/c12-8-3-1-7(2-4-8)10(14)13-9-5-6-16-11(9)15/h1-4,9H,5-6H2,(H,13,14)/t9-/m0/s1
InChIKeyFKBDDIATWGVLAF-VIFPVBQESA-N
MW284.11 g/mol
LogP1.49
Rot. Bonds2

About 4-bromo-N-[(3S)-2-oxooxolan-3-yl]benzamide

4-bromo-N-[(3S)-2-oxooxolan-3-yl]benzamide (PubChem CID 38988802) has the molecular formula C11H10BrNO3 and a molecular weight of 284.11 g/mol. Its IUPAC name is 4-bromo-N-[(3S)-2-oxooxolan-3-yl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(3S)-2-oxooxolan-3-yl]benzamide
PubChem CID38988802
Molecular FormulaC11H10BrNO3
Molecular Weight284.11 g/mol
Exact Mass282.98
IUPAC Name4-bromo-N-[(3S)-2-oxooxolan-3-yl]benzamide
SMILESO=C(N[C@H]1CCOC1=O)c1ccc(Br)cc1
InChIInChI=1S/C11H10BrNO3/c12-8-3-1-7(2-4-8)10(14)13-9-5-6-16-11(9)15/h1-4,9H,5-6H2,(H,13,14)/t9-/m0/s1
InChIKeyFKBDDIATWGVLAF-VIFPVBQESA-N
XLogP1.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(3S)-2-oxooxolan-3-yl]benzamide?
The IUPAC name of 4-bromo-N-[(3S)-2-oxooxolan-3-yl]benzamide (CID 38988802) is 4-bromo-N-[(3S)-2-oxooxolan-3-yl]benzamide.
What is the SMILES notation for 4-bromo-N-[(3S)-2-oxooxolan-3-yl]benzamide?
The canonical SMILES for 4-bromo-N-[(3S)-2-oxooxolan-3-yl]benzamide is O=C(N[C@H]1CCOC1=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[(3S)-2-oxooxolan-3-yl]benzamide?
The InChIKey is FKBDDIATWGVLAF-VIFPVBQESA-N. The full InChI is InChI=1S/C11H10BrNO3/c12-8-3-1-7(2-4-8)10(14)13-9-5-6-16-11(9)15/h1-4,9H,5-6H2,(H,13,14)/t9-/m0/s1.
What are the key properties of 4-bromo-N-[(3S)-2-oxooxolan-3-yl]benzamide?
4-bromo-N-[(3S)-2-oxooxolan-3-yl]benzamide has a molecular weight of 284.11 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(3S)-2-oxooxolan-3-yl]benzamide is sourced from PubChem (CID 38988802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).