N-[3-(bromomethyl)oxetan-3-yl]-2-phenylacetamide

C12H14BrNO2 — CID 146427768

IUPACN-[3-(bromomethyl)oxetan-3-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC1(CBr)COC1
InChIInChI=1S/C12H14BrNO2/c13-7-12(8-16-9-12)14-11(15)6-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,14,15)
InChIKeyVELNMRUAJNMDJY-UHFFFAOYSA-N
MW284.15 g/mol
LogP1.51
Rot. Bonds4

About N-[3-(bromomethyl)oxetan-3-yl]-2-phenylacetamide

N-[3-(bromomethyl)oxetan-3-yl]-2-phenylacetamide (PubChem CID 146427768) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is N-[3-(bromomethyl)oxetan-3-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-(bromomethyl)oxetan-3-yl]-2-phenylacetamide
PubChem CID146427768
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC NameN-[3-(bromomethyl)oxetan-3-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC1(CBr)COC1
InChIInChI=1S/C12H14BrNO2/c13-7-12(8-16-9-12)14-11(15)6-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,14,15)
InChIKeyVELNMRUAJNMDJY-UHFFFAOYSA-N
XLogP1.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(bromomethyl)oxetan-3-yl]-2-phenylacetamide?
The IUPAC name of N-[3-(bromomethyl)oxetan-3-yl]-2-phenylacetamide (CID 146427768) is N-[3-(bromomethyl)oxetan-3-yl]-2-phenylacetamide.
What is the SMILES notation for N-[3-(bromomethyl)oxetan-3-yl]-2-phenylacetamide?
The canonical SMILES for N-[3-(bromomethyl)oxetan-3-yl]-2-phenylacetamide is O=C(Cc1ccccc1)NC1(CBr)COC1.
What is the InChIKey of N-[3-(bromomethyl)oxetan-3-yl]-2-phenylacetamide?
The InChIKey is VELNMRUAJNMDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2/c13-7-12(8-16-9-12)14-11(15)6-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,14,15).
What are the key properties of N-[3-(bromomethyl)oxetan-3-yl]-2-phenylacetamide?
N-[3-(bromomethyl)oxetan-3-yl]-2-phenylacetamide has a molecular weight of 284.15 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(bromomethyl)oxetan-3-yl]-2-phenylacetamide is sourced from PubChem (CID 146427768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).