2-(3-bromophenyl)-N-[2-(oxiran-2-yl)ethyl]acetamide

C12H14BrNO2 — CID 87093259

IUPAC2-(3-bromophenyl)-N-[2-(oxiran-2-yl)ethyl]acetamide
SMILESO=C(Cc1cccc(Br)c1)NCCC1CO1
InChIInChI=1S/C12H14BrNO2/c13-10-3-1-2-9(6-10)7-12(15)14-5-4-11-8-16-11/h1-3,6,11H,4-5,7-8H2,(H,14,15)
InChIKeyZVIFZWHQIUMMDG-UHFFFAOYSA-N
MW284.15 g/mol
LogP1.90
Rot. Bonds5

About 2-(3-bromophenyl)-N-[2-(oxiran-2-yl)ethyl]acetamide

2-(3-bromophenyl)-N-[2-(oxiran-2-yl)ethyl]acetamide (PubChem CID 87093259) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-[2-(oxiran-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-[2-(oxiran-2-yl)ethyl]acetamide
PubChem CID87093259
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC Name2-(3-bromophenyl)-N-[2-(oxiran-2-yl)ethyl]acetamide
SMILESO=C(Cc1cccc(Br)c1)NCCC1CO1
InChIInChI=1S/C12H14BrNO2/c13-10-3-1-2-9(6-10)7-12(15)14-5-4-11-8-16-11/h1-3,6,11H,4-5,7-8H2,(H,14,15)
InChIKeyZVIFZWHQIUMMDG-UHFFFAOYSA-N
XLogP1.90
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-(3-bromophenyl)-N-[2-(oxiran-2-yl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-bromophenyl)-N-propylacetamide
CID 4084138
N-(4-bromobutyl)-2-(3-bromophenyl)acetamide
CID 106845789
2-(3-bromophenyl)-N-(5-chloropentyl)acetamide
CID 107320862
2-(3-bromophenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 75419116
2-(3-bromophenyl)-N-(3-cyanopropyl)acetamide
CID 55208949
2-(3-bromophenyl)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 113098238
3-bromo-N-(oxiran-2-ylmethyl)benzamide
CID 102548436
2-(3-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide
CID 112990659
2-(3-bromophenyl)-N-hex-5-ynylacetamide
CID 103757951
(3-bromophenyl)methyl-(oxiran-2-ylmethyl)carbamic acid
CID 87093261
2-(3-bromophenyl)-N-[2-(2,4,5-trimethylphenoxy)ethyl]acetamide
CID 113101258
2-(3-bromophenyl)-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide
CID 113101145

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-[2-(oxiran-2-yl)ethyl]acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-[2-(oxiran-2-yl)ethyl]acetamide (CID 87093259) is 2-(3-bromophenyl)-N-[2-(oxiran-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-[2-(oxiran-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-[2-(oxiran-2-yl)ethyl]acetamide is O=C(Cc1cccc(Br)c1)NCCC1CO1.
What is the InChIKey of 2-(3-bromophenyl)-N-[2-(oxiran-2-yl)ethyl]acetamide?
The InChIKey is ZVIFZWHQIUMMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2/c13-10-3-1-2-9(6-10)7-12(15)14-5-4-11-8-16-11/h1-3,6,11H,4-5,7-8H2,(H,14,15).
What are the key properties of 2-(3-bromophenyl)-N-[2-(oxiran-2-yl)ethyl]acetamide?
2-(3-bromophenyl)-N-[2-(oxiran-2-yl)ethyl]acetamide has a molecular weight of 284.15 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-[2-(oxiran-2-yl)ethyl]acetamide is sourced from PubChem (CID 87093259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).