N-(2-bromophenyl)-2-morpholin-4-ylacetamide

C12H15BrN2O2 — CID 2697536

IUPACN-(2-bromophenyl)-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1ccccc1Br
InChIInChI=1S/C12H15BrN2O2/c13-10-3-1-2-4-11(10)14-12(16)9-15-5-7-17-8-6-15/h1-4H,5-9H2,(H,14,16)
InChIKeyXCXBNQCEWOPMAZ-UHFFFAOYSA-N
MW299.17 g/mol
LogP1.72
Rot. Bonds3

About N-(2-bromophenyl)-2-morpholin-4-ylacetamide

N-(2-bromophenyl)-2-morpholin-4-ylacetamide (PubChem CID 2697536) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-morpholin-4-ylacetamide
PubChem CID2697536
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC NameN-(2-bromophenyl)-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1ccccc1Br
InChIInChI=1S/C12H15BrN2O2/c13-10-3-1-2-4-11(10)14-12(16)9-15-5-7-17-8-6-15/h1-4H,5-9H2,(H,14,16)
InChIKeyXCXBNQCEWOPMAZ-UHFFFAOYSA-N
XLogP1.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-bromophenyl)-2-morpholin-4-ylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-morpholin-4-ylacetamide?
The IUPAC name of N-(2-bromophenyl)-2-morpholin-4-ylacetamide (CID 2697536) is N-(2-bromophenyl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(2-bromophenyl)-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-morpholin-4-ylacetamide?
The InChIKey is XCXBNQCEWOPMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c13-10-3-1-2-4-11(10)14-12(16)9-15-5-7-17-8-6-15/h1-4H,5-9H2,(H,14,16).
What are the key properties of N-(2-bromophenyl)-2-morpholin-4-ylacetamide?
N-(2-bromophenyl)-2-morpholin-4-ylacetamide has a molecular weight of 299.17 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 2697536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).