N-[5-(bromomethyl)-2-oxooxolan-3-yl]benzamide

C12H12BrNO3 — CID 570114

IUPACN-[5-(bromomethyl)-2-oxooxolan-3-yl]benzamide
SMILESO=C(NC1CC(CBr)OC1=O)c1ccccc1
InChIInChI=1S/C12H12BrNO3/c13-7-9-6-10(12(16)17-9)14-11(15)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,14,15)
InChIKeyWYJCQNRECIRGSF-UHFFFAOYSA-N
MW298.14 g/mol
LogP1.50
Rot. Bonds3

About N-[5-(bromomethyl)-2-oxooxolan-3-yl]benzamide

N-[5-(bromomethyl)-2-oxooxolan-3-yl]benzamide (PubChem CID 570114) has the molecular formula C12H12BrNO3 and a molecular weight of 298.14 g/mol. Its IUPAC name is N-[5-(bromomethyl)-2-oxooxolan-3-yl]benzamide.

Molecular Properties

Compound NameN-[5-(bromomethyl)-2-oxooxolan-3-yl]benzamide
PubChem CID570114
Molecular FormulaC12H12BrNO3
Molecular Weight298.14 g/mol
Exact Mass297.00
IUPAC NameN-[5-(bromomethyl)-2-oxooxolan-3-yl]benzamide
SMILESO=C(NC1CC(CBr)OC1=O)c1ccccc1
InChIInChI=1S/C12H12BrNO3/c13-7-9-6-10(12(16)17-9)14-11(15)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,14,15)
InChIKeyWYJCQNRECIRGSF-UHFFFAOYSA-N
XLogP1.50
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3S,5S)-2-oxo-5-phenyloxolan-3-yl]benzamide
CID 102525266
N-[(3R,5R)-5-(4-bromophenyl)-2-oxooxolan-3-yl]benzamide
CID 102525271
butyl (2S)-3-[(2S,4S)-4-benzamido-5-oxooxolan-2-yl]-2-hydroxypropanoate
CID 10569790
N-[(3S,6R)-2-oxo-6-(trifluoromethyl)oxan-3-yl]benzamide
CID 9102312
N-[(3R,4aR,10bS)-7-methyl-2,5-dioxo-4,4a,6,10b-tetrahydro-3H-pyrano[3,2-c]quinolin-3-yl]benzamide
CID 7831985
N-(2-hydroxycyclopropyl)benzamide
CID 175468011
N-(2-benzamidocyclobutyl)benzamide
CID 58037122
N-(2-ethylcyclopropyl)benzamide
CID 103669419
N-[(1S,2R)-2-phenylcyclopropyl]benzamide
CID 7350127
N-(3-oxooxazinan-4-yl)benzamide
CID 22561655
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 1338021
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 6980977

Frequently Asked Questions

What is the IUPAC name of N-[5-(bromomethyl)-2-oxooxolan-3-yl]benzamide?
The IUPAC name of N-[5-(bromomethyl)-2-oxooxolan-3-yl]benzamide (CID 570114) is N-[5-(bromomethyl)-2-oxooxolan-3-yl]benzamide.
What is the SMILES notation for N-[5-(bromomethyl)-2-oxooxolan-3-yl]benzamide?
The canonical SMILES for N-[5-(bromomethyl)-2-oxooxolan-3-yl]benzamide is O=C(NC1CC(CBr)OC1=O)c1ccccc1.
What is the InChIKey of N-[5-(bromomethyl)-2-oxooxolan-3-yl]benzamide?
The InChIKey is WYJCQNRECIRGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO3/c13-7-9-6-10(12(16)17-9)14-11(15)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,14,15).
What are the key properties of N-[5-(bromomethyl)-2-oxooxolan-3-yl]benzamide?
N-[5-(bromomethyl)-2-oxooxolan-3-yl]benzamide has a molecular weight of 298.14 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(bromomethyl)-2-oxooxolan-3-yl]benzamide is sourced from PubChem (CID 570114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).