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

C13H17BrN2O2 — CID 107903089

IUPAC2-bromo-N-(2-morpholin-4-ylphenyl)propanamide
SMILESCC(Br)C(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C13H17BrN2O2/c1-10(14)13(17)15-11-4-2-3-5-12(11)16-6-8-18-9-7-16/h2-5,10H,6-9H2,1H3,(H,15,17)
InChIKeyRNCZJSWDANOKTK-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.25
Rot. Bonds3

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

2-bromo-N-(2-morpholin-4-ylphenyl)propanamide (PubChem CID 107903089) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is 2-bromo-N-(2-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name2-bromo-N-(2-morpholin-4-ylphenyl)propanamide
PubChem CID107903089
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name2-bromo-N-(2-morpholin-4-ylphenyl)propanamide
SMILESCC(Br)C(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C13H17BrN2O2/c1-10(14)13(17)15-11-4-2-3-5-12(11)16-6-8-18-9-7-16/h2-5,10H,6-9H2,1H3,(H,15,17)
InChIKeyRNCZJSWDANOKTK-UHFFFAOYSA-N
XLogP2.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.25
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

2-methyl-N-(2-morpholin-4-ylphenyl)propanamide
CID 2767049
2-ethyl-N-(2-morpholin-4-ylphenyl)butanamide
CID 110756603
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylphenyl)propanamide
CID 7940676
(2S)-2-amino-N-(2-morpholin-4-ylphenyl)-2-phenylacetamide
CID 22691745
1-(2-morpholin-4-ylphenyl)-3-(2-propan-2-yloxyphenyl)urea
CID 108992097
1-(2-morpholin-4-ylphenyl)-3-pentan-3-ylurea
CID 108888338
2-bromo-N-(2-morpholin-4-ylphenyl)acetamide
CID 60650852
2-(2-chlorophenoxy)-N-(2-morpholin-4-ylphenyl)propanamide
CID 134037929
2-[acetyl(propan-2-yl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 113158255
2-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylphenyl)butanamide
CID 110316961
(2S)-2-(4-acetylphenoxy)-N-(2-morpholin-4-ylphenyl)propanamide
CID 40791637
tert-butyl N-[3-methyl-1-(2-morpholin-4-ylanilino)-1-oxobutan-2-yl]carbamate
CID 110425333

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-morpholin-4-ylphenyl)propanamide?
The IUPAC name of 2-bromo-N-(2-morpholin-4-ylphenyl)propanamide (CID 107903089) is 2-bromo-N-(2-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for 2-bromo-N-(2-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for 2-bromo-N-(2-morpholin-4-ylphenyl)propanamide is CC(Br)C(=O)Nc1ccccc1N1CCOCC1.
What is the InChIKey of 2-bromo-N-(2-morpholin-4-ylphenyl)propanamide?
The InChIKey is RNCZJSWDANOKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-10(14)13(17)15-11-4-2-3-5-12(11)16-6-8-18-9-7-16/h2-5,10H,6-9H2,1H3,(H,15,17).
What are the key properties of 2-bromo-N-(2-morpholin-4-ylphenyl)propanamide?
2-bromo-N-(2-morpholin-4-ylphenyl)propanamide has a molecular weight of 313.19 g/mol, XLogP of 2.25, 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)propanamide is sourced from PubChem (CID 107903089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).