2-bromo-N-(2-morpholin-4-ylphenyl)acetamide

C12H15BrN2O2 — CID 60650852

IUPAC2-bromo-N-(2-morpholin-4-ylphenyl)acetamide
SMILESO=C(CBr)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C12H15BrN2O2/c13-9-12(16)14-10-3-1-2-4-11(10)15-5-7-17-8-6-15/h1-4H,5-9H2,(H,14,16)
InChIKeyYBMPWFYBVKGJKS-UHFFFAOYSA-N
MW299.17 g/mol
LogP1.86
Rot. Bonds3

About 2-bromo-N-(2-morpholin-4-ylphenyl)acetamide

2-bromo-N-(2-morpholin-4-ylphenyl)acetamide (PubChem CID 60650852) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is 2-bromo-N-(2-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(2-morpholin-4-ylphenyl)acetamide
PubChem CID60650852
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name2-bromo-N-(2-morpholin-4-ylphenyl)acetamide
SMILESO=C(CBr)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C12H15BrN2O2/c13-9-12(16)14-10-3-1-2-4-11(10)15-5-7-17-8-6-15/h1-4H,5-9H2,(H,14,16)
InChIKeyYBMPWFYBVKGJKS-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
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

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CID 18071535
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2-(2-aminophenyl)-N-(2-morpholin-4-ylphenyl)acetamide
CID 28712686
2-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]sulfanylacetic acid
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CID 79473131
N-(2-morpholin-4-ylphenyl)-2-(1,3-oxazol-4-yl)acetamide
CID 110686392
N-(2-morpholin-4-ylphenyl)-3-piperidin-1-ylpropanamide
CID 110688369
6-amino-N-(2-morpholin-4-ylphenyl)hexanamide
CID 43708115
2-(2,6-dimethylanilino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 109007545
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CID 8005269

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-bromo-N-(2-morpholin-4-ylphenyl)acetamide (CID 60650852) is 2-bromo-N-(2-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-bromo-N-(2-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-bromo-N-(2-morpholin-4-ylphenyl)acetamide is O=C(CBr)Nc1ccccc1N1CCOCC1.
What is the InChIKey of 2-bromo-N-(2-morpholin-4-ylphenyl)acetamide?
The InChIKey is YBMPWFYBVKGJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c13-9-12(16)14-10-3-1-2-4-11(10)15-5-7-17-8-6-15/h1-4H,5-9H2,(H,14,16).
What are the key properties of 2-bromo-N-(2-morpholin-4-ylphenyl)acetamide?
2-bromo-N-(2-morpholin-4-ylphenyl)acetamide has a molecular weight of 299.17 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 60650852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).