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

C12H15BrN2O2 — CID 687266

IUPACN-(4-bromophenyl)-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1ccc(Br)cc1
InChIInChI=1S/C12H15BrN2O2/c13-10-1-3-11(4-2-10)14-12(16)9-15-5-7-17-8-6-15/h1-4H,5-9H2,(H,14,16)
InChIKeyYXQVFLASUBJXTN-UHFFFAOYSA-N
MW299.17 g/mol
LogP1.72
Rot. Bonds3

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

N-(4-bromophenyl)-2-morpholin-4-ylacetamide (PubChem CID 687266) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-morpholin-4-ylacetamide
PubChem CID687266
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC NameN-(4-bromophenyl)-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1ccc(Br)cc1
InChIInChI=1S/C12H15BrN2O2/c13-10-1-3-11(4-2-10)14-12(16)9-15-5-7-17-8-6-15/h1-4H,5-9H2,(H,14,16)
InChIKeyYXQVFLASUBJXTN-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

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-morpholin-4-ylacetamide?
The IUPAC name of N-(4-bromophenyl)-2-morpholin-4-ylacetamide (CID 687266) is N-(4-bromophenyl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(4-bromophenyl)-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-morpholin-4-ylacetamide?
The InChIKey is YXQVFLASUBJXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c13-10-1-3-11(4-2-10)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-(4-bromophenyl)-2-morpholin-4-ylacetamide?
N-(4-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-(4-bromophenyl)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 687266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).